SpectraBase Compound ID | Aa3PWiiJF05 |
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InChI | InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)21-12-13-22-20-10-11-24-26(27(31)32-6)25(30)15-17-29(24,5)23(20)14-16-28(21,22)4/h18-26,30H,7-17H2,1-6H3/t19-,20+,21-,22+,23+,24+,25-,26+,28-,29-/m1/s1 |
InChIKey | GBNVZRCPWVMIOO-WSKVKQDESA-N |
Mol Weight | 446.7 g/mol |
Molecular Formula | C29H50O3 |
Exact Mass | 446.375995 g/mol |
SpectraBase Spectrum ID | 4CQRtDyred4 |
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Name | (3R,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid methyl ester |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C29H50O3 |
InChI | InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)21-12-13-22-20-10-11-24-26(27(31)32-6)25(30)15-17-29(24,5)23(20)14-16-28(21,22)4/h18-26,30H,7-17H2,1-6H3/t19-,20+,21-,22+,23+,24+,25-,26+,28-,29-/m1/s1 |
InChIKey | GBNVZRCPWVMIOO-WSKVKQDESA-N |
Molecular Weight | 446.716 g/mol |
SMILES | O[C@@]1(CC[C@]2([C@]([C@@]1(C(=O)OC)[H])(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)[H] |
SPLASH | splash10-006w-0070900000-bc68515245226eb3d4b1 |
Source of Spectrum | K1-0-3700-18 |
Synonyms | (3R,4S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid methyl ester Methyl (3R,4S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate Methyl (3R,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate Methyl (3R,4S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate |
Wiley ID | 1589268 |