![[6.beta.-2H]-4a-Oxa-A-bishomo-B-nor-3.alpha.,5-cyclo-5.beta.-cholestane](/api/spectrum/65OHY7vrPNk/structure.png?h=300&w=458 "[6.beta.-2H]-4a-Oxa-A-bishomo-B-nor-3.alpha.,5-cyclo-5.beta.-cholestane")
| SpectraBase Compound ID | A3AReSBPiwM |
|---|---|
| InChI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)22-9-10-23-21-15-27-17-28-16-20(27)11-14-26(27,5)24(21)12-13-25(22,23)4/h18-24H,6-17H2,1-5H3/t19-,20-,21?,22-,23+,24?,25-,26-,27+/m1/s1/i17D/t17-,19-,20-,21?,22-,23+,24?,25-,26-,27+ |
| InChIKey | RZZZZCCFXQGIQV-XWWVFBLJSA-N |
| Mol Weight | 387.7 g/mol |
| Molecular Formula | C27H45DO |
| Exact Mass | 387.361143 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 65OHY7vrPNk |
|---|---|
| Name | [6.beta.-2H]-4a-Oxa-A-bishomo-B-nor-3.alpha.,5-cyclo-5.beta.-cholestane |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45DO |
| InChI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)22-9-10-23-21-15-27-17-28-16-20(27)11-14-26(27,5)24(21)12-13-25(22,23)4/h18-24H,6-17H2,1-5H3/t19-,20-,21?,22-,23+,24?,25-,26-,27+/m1/s1/i17D/t17-,19-,20-,21?,22-,23+,24?,25-,26-,27+ |
| InChIKey | RZZZZCCFXQGIQV-XWWVFBLJSA-N |
| Molecular Weight | 387.670 g/mol |
| SMILES | [C@]12([C@@]3(CC4C2CC[C@@]2([C@]([C@@](CCCC(C)C)(C)[H])([H])CC[C@@]42[H])C)[C@](OC[C@]3(CC1)[H])([D])[H])C |
| SPLASH | splash10-000i-0009000000-c0c352dfa0f77a1637c9 |
| Source of Spectrum | J-64-113-23 |
| Synonyms | [6.beta.-2H]-4a-Oxa-A-bishomo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestane |
| Wiley ID | 1529185 |