| SpectraBase Spectrum ID |
2x81T6YNnbU |
| Name |
5 beta-ergost-22,23-ene-3-one |
| Alternate Name(s) |
(5R,9S,10S,13R,14S,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O |
| InChI |
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,18-21,23-26H,9-17H2,1-6H3/b8-7+/t19-,20+,21+,23?,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey |
NFXOUCCTSGUSAN-SRGJTDGUSA-N |
| Molecular Weight |
398.675 g/mol |
| SMILES |
[C@]12([C@](C3[C@]([C@@]4([C@](CC(=O)CC4)([H])CC3)C)([H])CC1)(CC[C@@]2([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C |
| SPLASH |
splash10-066s-9004000000-79c8af30d2faba0cce46 |
| Source of Spectrum |
JX-2015-6-2776 |
| Wiley ID |
1728390 |
