Products 912329-02-3

CAS 912329-02-3 is the registry number for Karavilagenin B. Offered by: MedChemExpress. Available pack sizes: Get quote.

Karavilagenin B
MedChemExpress
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Structural formula: {0} (CAS {1})

(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol (CAS 912329-02-3) is a chemical compound with the molecular formula C31H52O3 and a molecular weight of 472.7 g/mol. IUPAC name: (3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol. InChIKey: DOXNRZCBQJYCBO-SRZVJSNHSA-N.

Identity
Molecular formulaC31H52O3
Molecular weight472.7 g/mol
IUPAC name(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKeyDOXNRZCBQJYCBO-SRZVJSNHSA-N
SMILESC[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2[C@H](C=C4[C@H]3CC[C@@H](C4(C)C)O)OC)C)C)C

Computed by PubChem (NCBI)

Synonyms: 3beta,25-dihydroxy-7beta-methoxycucurbita-5,23(E)-diene, Karavilagenin B, orb1680434
Isomers (same molecular formula)
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate C31H52O3
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate C31H52O3
[4-methoxy-2,6-dimethyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)phenyl] acetate C31H52O3
[(2R,3R)-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-3H-1-benzofuran-5-yl] acetate C31H52O3
[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] dodecanoate C31H52O3
[(3S,8S,9S,10R,13R,14S)-17-[(2R,4R,5S)-5-ethyl-4-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C31H52O3
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate C31H52O3
[(2R)-2,8-dimethyl-5,7-bis(trideuteriomethyl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate C31H52O3
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] 2,2,2-trideuterioacetate C31H52O3
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propan-2-yl carbonate C31H52O3
(5R,8R,9R,10R,13R,14R,17S)-17-[(2S,6S)-6-methoxy-2,5,5-trimethyloxan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C31H52O3
(3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol C31H52O3

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