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

*Links on SpectraBase are not permalinks.
(3-beta,17E)-3-{[(tert-Butyl)dimethylsilyl]oxy}-5,17(20)-dien-21-ol Acetate
SpectraBase Compound ID IfrKv9EjTQm
InChI InChI=1S/C29H48O3Si/c1-20(30)31-18-15-21-10-12-25-24-11-9-22-19-23(32-33(7,8)27(2,3)4)13-16-29(22,6)26(24)14-17-28(21,25)5/h9,15,23-26H,10-14,16-19H2,1-8H3/b21-15+/t23-,24-,25-,26-,28+,29-/m0/s1
InChIKey BAGHLMGPBPZPSN-GMMCCLNZSA-N
Mol Weight 472.8 g/mol
Molecular Formula C29H48O3Si
Exact Mass 472.337272 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 BH3mhee8xjp
Name (3-beta,17E)-3-{[(tert-Butyl)dimethylsilyl]oxy}-5,17(20)-dien-21-ol Acetate
Alternate Name(s) (E)-2-((3S,8R,9S,10R,13S,14S)-3-((tert-butyldimethylsilyl)oxy)-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-ylidene)ethyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3Si
InChI InChI=1S/C29H48O3Si/c1-20(30)31-18-15-21-10-12-25-24-11-9-22-19-23(32-33(7,8)27(2,3)4)13-16-29(22,6)26(24)14-17-28(21,25)5/h9,15,23-26H,10-14,16-19H2,1-8H3/b21-15+/t23-,24-,25-,26-,28+,29-/m0/s1
InChIKey BAGHLMGPBPZPSN-GMMCCLNZSA-N
Literature Reference DOI 10.1002/hlca.200490270
Molecular Weight 472.785 g/mol
SMILES C[Si](O[C@]1(CC[C@@]2([C@]3(CC[C@@]4(\C(CC[C@]4([C@@]3(CC=C2C1)[H])[H])=C\COC(C)=O)C)[H])C)[H])(C(C)(C)C)C
SPLASH splash10-004i-9001600000-ee7b6b9f1a6f6a7a62ed
Source of Spectrum H-87-3000-10
Wiley ID 1785404