| SpectraBase Compound ID | I39zxaVURG8 |
|---|---|
| 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+/m0/s1/i20D |
| InChIKey | OSELKOCHBMDKEJ-CWAYIPQISA-N |
| Mol Weight | 413.7 g/mol |
| Molecular Formula | C29H472DO |
| Exact Mass | 413.376793 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EnRMa9bJOno |
|---|---|
| Name | (20S,24Z)-Stigmasta-5,24(28)-diene-3.beta.-ol-20-D |
| CAS Registry Number | 70266-98-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47DO |
| 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+/m0/s1/i20D |
| InChIKey | OSELKOCHBMDKEJ-CWAYIPQISA-N |
| Molecular Weight | 413.708 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@](CC\C(=C\C)C(C)C)(C)[2D])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-03di-0089000000-f017cf93dbf5596d776a |
| Source of Spectrum | J-44-2455-0 |
| Wiley ID | 1374858 |