| SpectraBase Spectrum ID |
JIlvpSxsRii |
| Name |
Stigmasta-5,24(28)-dien-3-ol,(3-beta,24Z) |
| CAS Registry Number |
481-14-1 |
| Classification |
Major sterol of a marine sponge |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
412.370516165 u |
| 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/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
OSELKOCHBMDKEJ-WGMIZEQOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
412.702 g/mol |
| Nominal Mass |
412 u |
| Quality |
916 |
| Retention Index |
3088 |
| SMILES |
O[C@@]1(CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@](CC\C(C(C)C)=C\C)(C)[H])[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H] |
| SPLASH |
splash10-08gj-5962000000-cceb90c0f0ca64eaff51 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Isofucosterol
Stigmasta-5,24(28)-dien-3b-ol,(Z)-
(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-Dimethyl-1-((5Z)-5-(propan-2-yl)hept-5-en-2-yl)-2,3,3a,3b,4 \r,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030607 |
