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

*Links on SpectraBase are not permalinks.

(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID Du87DM2K7N2
InChI InChI=1S/C28H50O/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/h18-26,29H,7-17H2,1-6H3/t19?,20-,21?,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey ARYTXMNEANMLMU-OECMJPDQSA-N
Mol Weight 402.7 g/mol
Molecular Formula C28H50O
Exact Mass 402.386166 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 oJpCsEKcMp
Name (3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 98463-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O
InChI InChI=1S/C28H50O/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/h18-26,29H,7-17H2,1-6H3/t19?,20-,21?,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey ARYTXMNEANMLMU-OECMJPDQSA-N
Molecular Weight 402.707 g/mol
SMILES O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](CCC(C(C)C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0udi-1080900000-47ed650e924b68582e56
Source of Spectrum F-44-1361-8
Synonyms (3R,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]phenanthren-3-ol
Wiley ID 1370737