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24-Methylcholestane-3.beta.,5.alpha.,6.beta.,25-tetraol-25-monoacetate

View entire compound with spectra: 2 MS (GC)

24-Methylcholestane-3.beta.,5.alpha.,6.beta.,25-tetraol-25-monoacetate
SpectraBase Compound ID 96a0c8BnL8n
InChI InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)23-10-11-24-22-16-26(33)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19?,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1
InChIKey NTYRSMDNACWFJE-UVEFGDBDSA-N
Mol Weight 492.7 g/mol
Molecular Formula C30H52O5
Exact Mass 492.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CZB5X3RaB1
Name 24-Methylcholestane-3.beta.,5.alpha.,6.beta.,25-tetraol-25-monoacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O5
InChI InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)23-10-11-24-22-16-26(33)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19?,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1
InChIKey NTYRSMDNACWFJE-UVEFGDBDSA-N
Molecular Weight 492.741 g/mol
SMILES O[C@@]1(C[C@@]2([C@@]([C@@]3([C@@]1(C[C@](CC3)(O)[H])O)C)(CC[C@@]1([C@](CC[C@@]21[H])([C@@](CCC(C(OC(=O)C)(C)C)C)(C)[H])[H])C)[H])[H])[H]
SPLASH splash10-000t-0009400000-eefe5c4b66aa7663dfca
Source of Spectrum QA-38-398-1
Synonyms 24-.xi.-Methylcholestane-3.beta.,5.alpha.,6.beta.,25-tetrol 25-monoacetate (3beta,5alpha,6beta)-3,5,6-trihydroxyergostan-25-yl acetate Acetic acid[(5R)-1,1,2-trimethyl-5-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hexyl]ester Acetic acid[(6R)-2,3-dimethyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl]ester [(5R)-1,1,2-trimethyl-5-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hexyl]acetate [(6R)-2,3-dimethyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl]acetate [(6R)-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,6-tris(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-heptan-2-yl]ethanoate Acetic acid [(6R)-2,3-dimethyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] ester [(6R)-2,3-dimethyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [(5R)-1,1,2-trimethyl-5-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hexyl] acetate [(6R)-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,6-tris(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-heptan-2-yl] ethanoate
Wiley ID 861299