| SpectraBase Compound ID | KQuTcGBG8Ra |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | JZVFJDZBLUFKCA-FXIAWGAOSA-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 | 20nP39YGmCa |
|---|---|
| Name | .alpha.-Spinasterol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | JZVFJDZBLUFKCA-FXIAWGAOSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | O[C@@]1(C[C@@]2(CC=C3[C@]4([C@]([C@@]([C@@](\C=C\[C@](C(C)C)(CC)[H])(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(CC1)C)[H])[H])[H])[H] |
| SPLASH | splash10-0229-0094600000-4d32f4ac73540472751f |
| Source of Spectrum | QA-40-89-1 |
| Synonyms | (3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 861610 |