| SpectraBase Compound ID | Bp0YESrvfAj |
|---|---|
| InChI | InChI=1S/C31H54O4/c1-8-22(28(4,5)33)10-9-20(2)31(34)18-15-27-25-12-11-23-19-24(35-21(3)32)13-16-29(23,6)26(25)14-17-30(27,31)7/h20,22-27,33-34H,8-19H2,1-7H3/t20-,22?,23+,24+,25?,26?,27?,29+,30+,31+/m1/s1 |
| InChIKey | RBHKKCBOGHMFQX-ZCVQQMEHSA-N |
| Mol Weight | 490.8 g/mol |
| Molecular Formula | C31H54O4 |
| Exact Mass | 490.40221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8ic7dKxVNC3 |
|---|---|
| Name | 17.alpha.,25-Dihydroxy-5.alpha.-stigmastan-3.beta.-yl acetate |
| Alternate Name(s) | (3beta,5alpha)-17,25-dihydroxystigmastan-3-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H54O4 |
| InChI | InChI=1S/C31H54O4/c1-8-22(28(4,5)33)10-9-20(2)31(34)18-15-27-25-12-11-23-19-24(35-21(3)32)13-16-29(23,6)26(25)14-17-30(27,31)7/h20,22-27,33-34H,8-19H2,1-7H3/t20-,22?,23+,24+,25?,26?,27?,29+,30+,31+/m1/s1 |
| InChIKey | RBHKKCBOGHMFQX-ZCVQQMEHSA-N |
| Molecular Weight | 490.769 g/mol |
| SMILES | OC(C(CC[C@]([C@@]1([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC1)C)O)(C)[H])CC)(C)C |
| SPLASH | splash10-0aor-0096000000-caeb9f784cac255c5f7c |
| Source of Spectrum | K-2001-2235-36 |
| Wiley ID | 1579679 |