| SpectraBase Compound ID | IxyrbBioZmt |
|---|---|
| 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/h14,16,19-22,24-27H,7-13,15,17-18H2,1-6H3/t20-,21-,22+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | VPSZXGDXMLNHQJ-KWMXJCMHSA-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 | FrLy6d8y4uw |
|---|---|
| Name | Stigmast-1-en-3-one, (5.alpha.)- |
| Alternate Name(s) | (5alpha)-stigmast-1-en-3-one 5.alpha.-stigmast-1-en-3-one |
| CAS Registry Number | 63631-45-8 |
| 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/h14,16,19-22,24-27H,7-13,15,17-18H2,1-6H3/t20-,21-,22+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | VPSZXGDXMLNHQJ-KWMXJCMHSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(C=CC(C4)=O)C)[H])[H])(CC[C@@]1([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C |
| SPLASH | splash10-03mi-0098700000-7073d081d4e88c7c52eb |
| Source of Spectrum | C-99-4481-0 |
| Wiley ID | 1374740 |