| SpectraBase Spectrum ID |
ADLqpJ7MXIe |
| Name |
(5S,6S)-5,6-epoxy-9,10-seco-7,10(19)-cholestadien-3.beta.-ol |
| CAS Registry Number |
99477-86-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)23-13-14-24-21(10-7-15-26(23,24)5)16-25-27(29-25)17-22(28)12-11-20(27)4/h16,18-19,22-25,28H,4,6-15,17H2,1-3,5H3/b21-16+/t19-,22-,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey |
NQIMWEDPRLZNNR-NMRLWDDVSA-N |
| Molecular Weight |
400.647 g/mol |
| SMILES |
O[C@]1(C[C@]2(O[C@]2(\C=C\2[C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CCC2)[H])[H])C(CC1)=C)[H] |
| SPLASH |
splash10-0aps-7910100000-d568cad6934627fb03ab |
| Source of Spectrum |
AH-116-837-5 |
| Synonyms |
(2S,3S,5R)-2-((E)-{(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}methyl)-8-methylene-1-oxaspiro[2.5]octan-5-ol |
| Wiley ID |
1369719 |
