| SpectraBase Compound ID | FnyZN8lwkxv |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19,21,23-27,30H,3,7-9,11-18H2,1-2,4-6H3/t19-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | CSTHWUUMHMZMTM-KICXVOJJSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GsDrAuEXuCN |
|---|---|
| Name | 24(28)-dehydroaplysterol |
| CAS Registry Number | 38636-50-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19,21,23-27,30H,3,7-9,11-18H2,1-2,4-6H3/t19-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | CSTHWUUMHMZMTM-KICXVOJJSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C1)=CC[C@]1([C@@]3(CC[C@]([C@@](CCC([C@](CC)(C)[H])=C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)[H] |
| SPLASH | splash10-0a4i-9621000000-e60c8c028649297a7638 |
| Source of Spectrum | X2-54-274-1 |
| Synonyms | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,6S)-6-methyl-5-methyleneoctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,6S)-6-methyl-5-methylideneoctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,5S)-1,5-dimethyl-4-methylene-heptyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,6S)-6-methyl-5-methylidene-octan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1603882 |