AG0039BW

472-61-7 | 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione

AG0039BW

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CAS Number	472-61-7
Catalog Number	AG0039BW(AGN-PC-0RV18W)
Chemical Name	3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
IUPAC Name	(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
InChI	InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
InChI Key	MQZIGYBFDRPAKN-UWFIBFSHSA-N
MDL Number	MFCD00672621
Molecular Formula	C40H52O4
Molecular Weight	596.8385
SMILES	O=C1C(C)=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C([C@@H](O)CC2(C)C)=O)C(C)(C)C[C@@H]1O
UNII	8XPW32PR7I
Synonyms	astaxanthin, astaxanthine, E-astaxanthin, Astaxanthin, 472-61-7, Ovoester, Astaxanthine, (3S,3'S)-Astaxanthin, trans-Astaxanthin, AstaREAL, 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione, all-trans-Astaxanthin, Natupink, AstaXin, BioAstin, Carophyll Pink, Lucantin Pink, UNII-8XPW32PR7I, BioAstin oleoresin, Astaxanthin, (3S,3'S)-, Astaxanthin (6CI), (3S,3'S)-all-trans-Astaxanthin, Astaxanthin, all-trans-, 8XPW32PR7I, (3S,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione, CHEBI:40968, MQZIGYBFDRPAKN-UWFIBFSHSA-N, CCRIS 7118, HSDB 7468, EINECS 207-451-4, NSC 635689, Astaxanthin, all-trans-, (3S,3'S)-, 3,3'-Dihydroxy-beta-carotene-4,4'-dione, (3R,3'S)-Astaxanthin, (3'RS,3'SR)-Astaxanthin, astaxantin, 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione, (3S,3'S)-, Aquasta, Astared, beta,beta-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)-, NatuRose, Astots 5O, AXT, (S,S)-Astaxanthin, Astots 10O, 3S,3'S-Astaxanthin, Astaxanthin, 5% active, AC1NQY7R, Coriolus Versicolor Extract, Algae Haematococcus pluvialis, SCHEMBL20047, E161j, Astaxanthin, synthetically made, CHEMBL1255871, Astaxanthin, >=98% (HPLC), E 161j, all-trans-(3S,3'S)-astaxanthin, (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one, 7542-45-2, BCP05821, HY-B2163, .beta.,.beta.-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)-, CA0143, LMPR01070263, MFCD00672621, AKOS015841055, AKOS015895756, ZINC100042059, AC-8760, BCP9000329, DB06543, 3,3'-dihydroxy-?-carotene-4,4'-dione, 3,3'-dihydroxy-ss-carotene-4,4'-dione, all-trans-Astaxanthin, analytical standard, AS-14095, BC678546, SC-15878, CS-0020413, FT-0081075, C08580, M01303, 3,3'-dihydroxy-4,4'-diketo-beta,beta-carotene, 472A617, I06-1497, Q-200655, all-trans-3,3'-dihydroxy-b-Carotene-4,4'-dione (8CI), (3R,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione, .beta.-Carotene-4,4'-dione, 3,3'-dihydroxy-, all-trans-, all-trans-3,3'-dihydroxy-beta-Carotene-4,4'-dione (8CI), UNII-E9AI950EAH component MQZIGYBFDRPAKN-UWFIBFSHSA-N, 3,3'-Dihydroxy-.beta.,.beta.-carotene-4,4'-dione, (3S,3'S)-, Astaxanthin. Short expiry date due to chemical nature of component(s), (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1, (6S,6'S)-3,3'-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one), (6S,6'S)-3,3'-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(6-hydroxy-2,4,4-trimethylcyclohex-2-enone), Asiaticoside, E-astaxanthin, meso-astaxanthin, -one, C40H52O4, ACN-046964, C40-H52-O4, CID5281224, CS-O-00913, 3,3'-dihydroxy-4,4'-diketo-beta-carotene, C005948, |A-Carotene-4,4'-dione, 3,3'-dihydroxy-, all-trans- (8CI),

Complexity	1340
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	9
Exact Mass	596.387g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	596.852g/mol
Monoisotopic Mass	596.387g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number