| SpectraBase Compound ID | 3PZJL5ES2CD |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,19-20,22-27H,7,10-18H2,1-6H3/b9-8+/t19-,20+,22-,23-,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | UYLNVBMDYCAKQN-GYMIJLDSSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C29H48O2 |
| Exact Mass | 428.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KZnoY4NRux2 |
|---|---|
| Name | Patinosterol acetate |
| Alternate Name(s) | (1S,2S,5S,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R,3E,5S)-5-methylhept-3-en-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate Acetic acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,1R,4S)-1,4-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O2 |
| InChI | InChI=1S/C29H48O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,19-20,22-27H,7,10-18H2,1-6H3/b9-8+/t19-,20+,22-,23-,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | UYLNVBMDYCAKQN-GYMIJLDSSA-N |
| Molecular Weight | 428.701 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](\C=C\[C@](CC)(C)[H])(C)[H])[H])[H])C |
| SPLASH | splash10-0aor-6934100000-5f9fbc7bf2fe0339c791 |
| Source of Spectrum | SD-1992-0-0 |
| Wiley ID | 1380951 |