| SpectraBase Spectrum ID |
BXueouiuEzW |
| Name |
Ergost-22-en-6-one, 3-hydroxy-, (3.beta.,5.beta.,22E)- |
| CAS Registry Number |
118574-75-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O2 |
| InChI |
InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,17-25,29H,9-16H2,1-6H3/b8-7+/t18-,19+,20-,21-,22+,23-,24-,25-,27+,28+/m0/s1 |
| InChIKey |
UGNNWZZLNDGUAB-DXAOXRKGSA-N |
| Molecular Weight |
414.674 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])([H])CC([C@@]2(C1)[H])=O)[H])C)[H] |
| SPLASH |
splash10-0006-3009300000-4dfb2716c691b0e10072 |
| Source of Spectrum |
KC-1988-2362-19 |
| Synonyms |
(22E)-5.beta.-ergosta-22-ene-6-oxo-3.beta.-ol
(3beta,5beta,22E)-3-hydroxyergost-22-en-6-one |
| Wiley ID |
1375753 |
