| SpectraBase Spectrum ID |
DPo7ZEBO2wQ |
| Name |
Ergosterol per oxide |
| Alternate Name(s) |
(3S,5S,8S,9R,10R,13R,14R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H44O3 |
| InChI |
InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1 |
| InChIKey |
VXOZCESVZIRHCJ-KGHQQZOUSA-N |
| Literature Reference DOI |
10.1002/jccs.200200042 |
| Molecular Weight |
428.657 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(C=C[C@]4([C@@]2(CC[C@]2([C@]4(CC[C@@]2([C@](C)(\C=C\[C@@](C(C)C)(C)[H])[H])[H])[H])C)[H])OO3)C1)C)[H] |
| SPLASH |
splash10-014j-6019000000-9871ae7d3a5252c80b54 |
| Source of Spectrum |
QA-49-272-12 |
| Wiley ID |
1795578 |
