| SpectraBase Compound ID | JomEsdJ6t0W |
|---|---|
| InChI | InChI=1S/C29H50O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-34H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,24+,25-,26+,27+,28+,29+/m0/s1 |
| InChIKey | WADMTJKRYLAHQV-JEAKQVINSA-N |
| Mol Weight | 478.7 g/mol |
| Molecular Formula | C29H50O5 |
| Exact Mass | 478.365825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9TCKLHefakh |
|---|---|
| Name | (22R,23R)-2.beta.,3.beta.,22,23-Tetrahydroxy-5.alpha.-stigmastan-6-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O5 |
| InChI | InChI=1S/C29H50O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-34H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,24+,25-,26+,27+,28+,29+/m0/s1 |
| InChIKey | WADMTJKRYLAHQV-JEAKQVINSA-N |
| Molecular Weight | 478.714 g/mol |
| SMILES | O[C@@]([C@@]([C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(C[C@@]([C@@](C[C@@]4(C(C3)=O)[H])(O)[H])(O)[H])C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])(O)[H])([C@](C(C)C)(CC)[H])[H] |
| SPLASH | splash10-03di-0009000000-6bf9d08437977667f4cd |
| Source of Spectrum | F-52-2445-17 |
| Synonyms | (2beta,3beta,5alpha,22R,23R)-2,3,22,23-tetrahydroxystigmastan-6-one (2S,3R,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (2S,3R,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-ethyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| Wiley ID | 795273 |