| SpectraBase Compound ID | FrOzOq866yX |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-7-33-28(31)21(3)12-10-11-20(2)23-14-15-24-22-19-27(32-6)26-13-8-9-17-29(26,4)25(22)16-18-30(23,24)5/h10-11,20-27H,7-9,12-19H2,1-6H3/b11-10+/t20-,21?,22+,23-,24+,25+,26?,27-,29-,30-/m1/s1 |
| InChIKey | XXMBXVPZDAKKBZ-VVJSZPEYSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AxDNIdivJrz |
|---|---|
| Name | Ethyl(25.xi.- 6.beta.-Methoxy-3.alpha.,5-cyclo-5.alpha.-choles-22-en-26-oate. |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-7-33-28(31)21(3)12-10-11-20(2)23-14-15-24-22-19-27(32-6)26-13-8-9-17-29(26,4)25(22)16-18-30(23,24)5/h10-11,20-27H,7-9,12-19H2,1-6H3/b11-10+/t20-,21?,22+,23-,24+,25+,26?,27-,29-,30-/m1/s1 |
| InChIKey | XXMBXVPZDAKKBZ-VVJSZPEYSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(C[C@@](OC)(C4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](\C=C\CC(C(=O)OCC)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0a4i-9161700000-954adf7a6253d8980904 |
| Source of Spectrum | C-114-312-27 |
| Wiley ID | 1390061 |