AG00I8BP

4345-03-3 | Butanedioic acid,mono[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester

AG00I8BP

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CAS Number	4345-03-3
Catalog Number	AG00I8BP(AGN-PC-0RRRYH)
Chemical Name	Butanedioic acid,mono[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester
IUPAC Name	4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid
InChI	InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1
InChI Key	IELOKBJPULMYRW-NJQVLOCASA-N
MDL Number	MFCD00072055
Molecular Formula	C33H54O5
Molecular Weight	530.7789
SMILES	O=C(O)CCC(OC1=C(C)C(CC[C@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)O2)=C2C(C)=C1C)=O
UNII	LU4B53JYVE
Synonyms	3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, Acetate, Tocopherol, alpha Tocopherol, alpha Tocopherol Acetate, alpha Tocopherol Hemisuccinate, alpha Tocopherol Succinate, alpha Tocopheryl Calcium Succinate, alpha-Tocopherol, alpha-tocopherol acetate, alpha-tocopherol hemisuccinate, alpha-tocopherol succinate, alpha-Tocopheryl Calcium Succinate, d alpha Tocopherol, d alpha Tocopheryl Acetate, d-alpha Tocopherol, d-alpha-Tocopheryl Acetate, R,R,R-alpha-Tocopherol, Tocopherol Acetate, Tocopherol Succinate, Tocopherol, d-alpha, Tocopheryl Acetate, vitamin E succinate, vitamin e succinate, 4345-03-3, D-alpha-Tocopherol succinate, alpha-Tocopheryl succinate, tocopherol succinate, alpha-tocopherol succinate, D-ALPHA-TOCOPHERYL SUCCINATE, d-|A-tocopheryl succinate, Covitol 1210, d-alpha-Tocopherol acid succinate, UNII-LU4B53JYVE, LU4B53JYVE, NSC 173849, alpha-Tocopherol hemisuccinate, alpha-Tocopheryl acid succinate, CCRIS 4734, alpha-Tocopheryl succinate, D-, D-alpha tocopheryl acid succinate, d-alpha-Tocopheryl acid succinate, Tocopherol acid succinate, alpha-, IELOKBJPULMYRW-NJQVLOCASA-N, alpha-Tocopheryl hydrogen succinate, alpha-Tocopherol acid succinate, D-, EINECS 224-403-8, (+)-alpha-Tocopherol acid succinate, Vitamine E succinate, CV 104, MFCD00072055, NCGC00167561-01, Vitamin E hemisuccinate, DSSTox_CID_6151, DSSTox_RID_78037, DSSTox_GSID_26151, 17407-37-3, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl hydrogen succinate, (+)-, 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, hydrogen succinate, (+)-, Mono(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl) succinate, (+)-, 3-{[(2R)-2-((4R,8R)-4,8,12-trimethyltridecyl)-2,5,7,8-tetramethylchroman-6-yl] oxycarbonyl}propanoic acid, 4-oxo-4-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl]oxy-butanoic acid, Butanedioic acid, mono((2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester, Butanedioic acid, mono(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester, (2R-(2R*(4R*,8R*)))-, Mono(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) butanedioate, (2R-(2R*(4R*,8R*)))-, Succinic acid, mono(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl) ester, (+)-, VES, CAS-4345-03-3, Alpha-tocopherol succinate, d-, D-.alpha.-Tocopherol succinate, D-.alpha.-Tocopheryl succinate, NSC173849, Vitamin-E Dragees, 4-Oxo-4-(((R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl)oxy)butanoic acid, 4-oxo-4-((R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yloxy)butanoic acid, Butanedioic acid, mono[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester, C33H54O5, Dal-E, EINECS 241-433-7, alpha-Vitamin E succinate, D-|A-Tocopherol succinate, alpha-Tocopherol, succinate, .alpha.-Tocopherol succinate, White-e [veterinary] (TN), CHEMBL81421, SCHEMBL134422, Vitamin E d-|A-Tocosuccinate, (+)-|A-Tocopheryl Succinate, alpha tocopheryl acid succinate, AC1L2G37, (+)-alpha-Tocopheryl succinate, d-|A-Tocopherol Acid Succinate, d-|A-Tocopheryl Acid Succinate, DTXSID2026151, alpha-Tocopherol, succinate, D-, CTK8E6815, CHEBI:135821, ACT03492, alpha-Tocopherol, succinate (6CI), ZINC4214779, Tox21_112556, Tox21_200568, LS-120, AKOS015902063, Dal-Vita brand of vitamin E succinate, Wiedemann brand of vitamin E succinate, (+)-.alpha.-Tocopherol acid succinate, AB02839, AC-1132, CCG-207945, CHM0029406, KS-00000Y68, NCGC00167561-02, NCGC00167561-03, NCGC00258122-01, AN-15224, BC216003, SC-17516, ST075423, TR-016848, T2628, D08612, D-alpha-Tocopherol succinate, analytical standard, C033716, SR-01000883728, SR-01000883728-1, D-alpha-Tocopherol succinate, semisynthetic, 1210 IU/g, D-alpha-Tocopherol succinate, BioXtra, >=98.0% (HPLC), UNII-7VJE08U49E component IELOKBJPULMYRW-NJQVLOCASA-N, (+)-2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Hydrogen Succinate, Alpha tocopheryl acid succinate, United States Pharmacopeia (USP) Reference Standard, RRR-alpha-Tocopheryl hydrogen succinate, European Pharmacopoeia (EP) Reference Standard, (3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) hydrogen succinate, 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid, 55134-51-5, Butanedioic Acid 1-[(2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] Ester, Butanedioic acid, mono(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester, (2R-(2R*(, Butanedioic acid,mono[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester, mono((2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) butanedioate, Succinic Acid (+)-mono[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl] ester, Succinic acid, mono(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl) ester, (+)- (8CI), Tocopheryl Acid Succinate, a, Pharmaceutical Secondary Standard; Certified Reference Material, -Tocopheryl Succinate, |A-Tocopheryl Succinate, tocopheryl hemisuccinate, tocopheryl acid succinate, |A-Vitamin E Succinate, Vitamin E acid succinate, CID20353, C33-H54-O5, TOCOPHERYL ACID SUCCINATE,D-ALPHA, .ALPHA.-TOCOPHEROL SUCCINATE, D-, [3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl] hydrogen succinate, ATS, Butanedioic acid, 1-((2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester, Butanedioic acid, mono(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester, Butanedioic acid, mono[3,4-dihydro-2,5,7,8- tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran -6-yl] ester, [2R-[2R(4R,8R)]]-, Butanedioic acid, mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl] ester,

Complexity	720
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	530.397g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	530.79g/mol
Monoisotopic Mass	530.397g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number