| SpectraBase Spectrum ID |
4r1ll1MphA |
| Name |
Stigmasterol |
| CAS Registry Number |
83-48-7 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
412.370516165 u |
| Formula |
C29H48O |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| 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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20?,21?,23-,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey |
HCXVJBMSMIARIN-ZOFVKUHJSA-N |
| Molecular Weight |
412.702 g/mol |
| Nominal Mass |
412 u |
| Number of Peaks |
94 |
| SMILES |
O[C@@]1(CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)(C(C)\C=C\C(C(C)C)CC)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H] |
| SPLASH |
splash10-0a59-6930000000-274f968e1c54889582e1 |
| Source |
Forsythia flowers |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000967 |
