| SpectraBase Spectrum ID |
BXQaYrpHS4L |
| Name |
ERGOSTA-4,22-DIENE-3-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
396.339216036 u |
| Formula |
C28H44O |
| InChI |
InChI=1S/C28H44O/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/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7-/t19-,20+,23-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey |
OWYXOXZSAKVGHJ-ZDKTVFGJSA-N |
| Molecular Weight |
396.659 g/mol |
| Nominal Mass |
396 u |
| Number of Peaks |
131 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])([C@@](\C=C/[C@](C)(C(C)C)[H])(C)[H])[H])C)[H])C)=O |
| SPLASH |
splash10-066s-9562000000-7d88df2f83e2dbb3c7de |
| Source File Reference |
LMCM-68719-386N |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
ERGOSTA-4,22-DIEN-3-ONE
(8S,9S,10R,13R,14S,17R)-17-((2R,5R,Z)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_316 |
