| SpectraBase Spectrum ID |
2NgPCOr79cH |
| Name |
4a-Oxa-A-bishomo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestan-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)20-9-10-21-19-15-27-16-29-24(28)23(27)12-14-26(27,5)22(19)11-13-25(20,21)4/h17-23H,6-16H2,1-5H3/t18-,19?,20-,21+,22?,23-,25-,26-,27+/m1/s1 |
| InChIKey |
RTPDWZBIHVZXKW-VJDCHNJVSA-N |
| Molecular Weight |
400.647 g/mol |
| SMILES |
[C@@]123[C@@](C4CC[C@]5([C@](C4C3)(CC[C@@]5([C@@](CCCC(C)C)(C)[H])[H])[H])C)(CC[C@@]1(C(=O)OC2)[H])C |
| SPLASH |
splash10-0002-0090100000-63d37eedb744c36b0c58 |
| Source of Spectrum |
J-64-115-30 |
| Synonyms |
4a-Oxa-A-bishomo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestane-4.alpha.-one |
| Wiley ID |
1529180 |
