AG00ID9S

83-48-7 | Stigmasta-5,22-dien-3-ol, (3b,22E)-

AG00ID9S

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CAS Number	83-48-7
Catalog Number	AG00ID9S(AGN-PC-0OIU25)
Chemical Name	Stigmasta-5,22-dien-3-ol, (3b,22E)-
EC Number	201-482-7
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChI Key	HCXVJBMSMIARIN-PHZDYDNGSA-N
MDL Number	MFCD00003630
Molecular Formula	C29H48O
Molecular Weight	412.6908
SMILES	C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O)C(C)C
UNII	99WUK5D0Y8
Synonyms	Poriferasterol, Stigmasterol, STIGMASTEROL, Stigmasterin, 83-48-7, beta-Stigmasterol, Stigmasta-5,22-dien-3beta-ol, (24S)-5,22-Stigmastadien-3beta-ol, UNII-99WUK5D0Y8, 99WUK5D0Y8, CHEBI:28824, Stigmasta-5,22-dien-3-ol, (3beta,22E)-, Stigmasta-5,22E-dien-3beta-ol, Stigmasta-5,22-dien-3-beta-ol, MFCD00003630, (3beta,22E)-Stigmasta-5,22-dien-3-ol, Stigmasta-5,22-dien-3-ol, (3b,22E)-, (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, NSC 8095, .beta.-Stigmasterol, .delta.5,22-Stigmastadien-3.beta.-ol, (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, 14-((2E)(4S,1R)-4-ethyl-1,5-dimethylhex-2-enyl)(1S,5S,10S,11S,2R,14R,15R)-2,15 -dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol, Stigmasta-5,22-dien-3-ol, 5,22-Stigmastadien-3beta-ol, b-stigmasterol, NSC-8095, D5-Stigmasterol, Delta5-Stigmasterol, 3beta-Hydroxy-24-ethyl-5,22-cholestadiene, AC1NQXLK, Stigmasterol, ~95%, SCHEMBL23999, stigmasta-5,22t-dien-3b-ol, CCRIS 7476, CHEMBL400247, stigmasta-5,22-dien-3-b-ol, HSDB 7683, HCXVJBMSMIARIN-PHZDYDNGSA-N, Delta5,22-Stigmastadien-3beta-ol, HY-N0131, ZINC4096712, EINECS 201-482-7, (24S)-5,22-stigmastadien-3b-ol, BDBM50376364, BI4664, LMST01040123, SBB012602, 24aFH-stigmasta-5,22t-dien-3b-ol, AKOS022168193, CS-7746, (22E)-stigmasta-5,22-dien-3beta-ol, (24S)-Stigmast-5,22-dien-3beta-ol, (24xH)-stigmasta-5,22t-dien-3b-ol, 24-Ethyl-5,22-cholestadien-3beta-ol, 5,22-Cholestadien-24-ethyl-3beta-ol, Stigmasta-5,22-dien-3beta-ol (8CI), (24aFH)-stigmasta-5,22t-dien-3b-ol, (24x)-ethylcholesta-5,22-dien-3b-ol, NCGC00142599-03, Stigmasta-5,22-dien-3-ol, (3beta)-, (3b,22E)-stigmasta-5,22-dien-3-ol, 24x-24-ethylcholest-5,22-dien-3b-ol, AN-42262, AS-15473, P501, SC-18170, ST069313, 24-Ethyl-5,22-cholestadien-3.beta.-ol, rac-(24xH)-stigmasta-5,22t-dien-3b-ol, Stigmasta-5,22-dien-3-ol,(3b,22E)-, (3.beta.,22E)-Stigmasta-5,22-dien-3-ol, (24S)-24-Ethylcholesta-5,22-dien-3beta-ol, C05442, 157542-EP2277507A1, 157542-EP2286795A1, Q-201746, Stigmasta-5,22-dien-3-ol, (3beta,22E)- (9CI), UNII-3OE0DD1I5J component HCXVJBMSMIARIN-PHZDYDNGSA-N, UNII-D083681CDS component HCXVJBMSMIARIN-PHZDYDNGSA-N, Stigmasterol, certified reference material, 10 mg/mL in chloroform, (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, 17-(4-ethyl-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, Poriferasterol, Phytosterol, sterol, C29H48O, Stigmasterol, 95% - 1G 1g, EINECS 207-561-2, EINECS 288-225-2, C29-H48-O, ACN-046898, CID5280794, Glycerides, C14-18 and C16-22-unsatd., (3beta,22E,24R)-Stigmasta-5,22-dien-3-ol, Stigmasta-5,22-dien-3-ol, (3.beta.,22E)-, D013265, (3S,8S,9S,10R,13R,14S,17R)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-17-((E,2R,5S)-5-isopropylhept-3-en-2-yl)-10,13-dimethyl-1H-cyclopenta[a]phenanthren-3-ol, 481-16-3, 85681-87-4,

Complexity	674
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	1
Exact Mass	412.371g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	412.702g/mol
Monoisotopic Mass	412.371g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H331-H336-H351-H361d-H372
Packing Group
Precautionary statements	P201-P261-P304+P340+P312-P305+P351+P338-P308+P313-P403+P233
UN Code	\N

Certificate of Analysis

Lot Number