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3.beta.,6.alpha.,11.alpha.-Triacetoxy-24-methylene-5.alpha.-cholest-7-ene-5,9.alpha.-diol

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3.beta.,6.alpha.,11.alpha.-Triacetoxy-24-methylene-5.alpha.-cholest-7-ene-5,9.alpha.-diol
SpectraBase Compound ID 4Kt40DZZMSR
InChI InChI=1S/C34H52O8/c1-19(2)20(3)10-11-21(4)26-12-13-27-28-16-29(41-23(6)36)33(38)17-25(40-22(5)35)14-15-32(33,9)34(28,39)30(42-24(7)37)18-31(26,27)8/h16,19,21,25-27,29-30,38-39H,3,10-15,17-18H2,1-2,4-9H3/t21-,25+,26-,27+,29+,30-,31-,32+,33+,34+/m1/s1
InChIKey IUGVZOVBFORLBP-DXJOVEPHSA-N
Mol Weight 588.8 g/mol
Molecular Formula C34H52O8
Exact Mass 588.366219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UUzlrJHJi0
Name 3.beta.,6.alpha.,11.alpha.-Triacetoxy-24-methylene-5.alpha.-cholest-7-ene-5,9.alpha.-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52O8
InChI InChI=1S/C34H52O8/c1-19(2)20(3)10-11-21(4)26-12-13-27-28-16-29(41-23(6)36)33(38)17-25(40-22(5)35)14-15-32(33,9)34(28,39)30(42-24(7)37)18-31(26,27)8/h16,19,21,25-27,29-30,38-39H,3,10-15,17-18H2,1-2,4-9H3/t21-,25+,26-,27+,29+,30-,31-,32+,33+,34+/m1/s1
InChIKey IUGVZOVBFORLBP-DXJOVEPHSA-N
Molecular Weight 588.782 g/mol
SMILES O[C@@]12[C@@]([C@@]3(C(=C[C@@]2(OC(=O)C)[H])[C@@]2(CC[C@@]([C@]2(C[C@]3(OC(=O)C)[H])C)([C@@](CCC(=C)C(C)C)(C)[H])[H])[H])O)(CC[C@@](C1)(OC(=O)C)[H])C
SPLASH splash10-0059-0500390000-c0877cfe5172f618872e
Source of Spectrum X2-54-90-10
Synonyms (3beta,5alpha,6alpha,11alpha)-3,11-bis(acetyloxy)-5,9-dihydroxyergosta-7,24(28)-dien-6-yl acetate 3.beta.,6.alpha.,11.alpha.-Triacetoxy-5.alpha.-cholest-7-ene-5,9.alpha.-diol Acetic acid[(3S,5R,6S,9R,10S,11R,13R,14R,17R)-6,11-diacetoxy-5,9-dihydroxy-17-[(1R)-4-isopropyl-1-methyl-pent-4-enyl]-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(3S,5R,6S,9R,10S,11R,13R,14R,17R)-6,11-diacetyloxy-5,9-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,5R,6S,9R,10S,11R,13R,14R,17R)-6,11-diacetoxy-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-5,9-dihydroxy-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,5R,6S,9R,10S,11R,13R,14R,17R)-6,11-diacetyloxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-5,9-bis(oxidanyl)-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,5R,6S,9R,10S,11R,13R,14R,17R)-6,11-diacetyloxy-5,9-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(3S,5R,6S,9R,10S,11R,13R,14R,17R)-6,11-diacetyloxy-5,9-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5R,6S,9R,10S,11R,13R,14R,17R)-6,11-diacetyloxy-5,9-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5R,6S,9R,10S,11R,13R,14R,17R)-6,11-diacetoxy-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-5,9-dihydroxy-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5R,6S,9R,10S,11R,13R,14R,17R)-6,11-diacetyloxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-5,9-bis(oxidanyl)-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 1603858