For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ergostane
SpectraBase Compound ID KFqvOYnhLh
InChI InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20?,21-,22?,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey WAAWMJYYKITCGF-KJXIDZPTSA-N
Mol Weight 386.7 g/mol
Molecular Formula C28H50
Exact Mass 386.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B18KPGhkUvw
Name Ergostane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50
InChI InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20?,21-,22?,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey WAAWMJYYKITCGF-KJXIDZPTSA-N
Molecular Weight 386.708 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])(CC[C@@]1([C@@](CCC(C(C)C)C)(C)[H])[H])[H])C
SPLASH splash10-014i-0093000000-50d459cc0bde6f6f868e
Source of Spectrum WX-1981-6-0
Synonyms (8R,9S,10S,13R,14S,17R)-17-[(2R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 1363231