| SpectraBase Spectrum ID |
EkoiXeAJxyH |
| Name |
5alpha,6alpha-epoxy-(22E,24R)-ergosta-8,22-diene-3beta,7alpha-diol |
| Alternate Name(s) |
(3S,4aR,5aS,6S,6bR,9R,9aR,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-9a,11b-dimethyl-1,2,3,4,5a,6,6b,7,8,9,9a,10,11,11b-tetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H44O3 |
| InChI |
InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,24-,25-,26+,27+,28-/m0/s1 |
| InChIKey |
PCIZFQVDNDHRPP-WOIVZMLFSA-N |
| Literature Reference DOI |
10.1002/jccs.201190141 |
| Molecular Weight |
428.657 g/mol |
| SMILES |
O[C@@]1([C@]2([C@@]3([C@](CC[C@@](C3)(O)[H])(C=3CC[C@]4([C@](C13)(CC[C@@]4([C@](C)(\C=C\[C@@](C(C)C)(C)[H])[H])[H])[H])C)C)O2)[H])[H] |
| SPLASH |
splash10-03di-6176900000-800624412f806cc03838 |
| Source of Spectrum |
QA-58-896-2 |
| Wiley ID |
1796584 |
