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(2R)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-butyn-2-ol
SpectraBase Compound ID ITvwDG87BE4
InChI InChI=1S/C29H48O2Si/c1-10-29(7,30)25-14-13-23-22-12-11-20-19-21(31-32(8,9)26(2,3)4)15-17-27(20,5)24(22)16-18-28(23,25)6/h1,11,21-25,30H,12-19H2,2-9H3/t21-,22-,23-,24-,25-,27-,28-,29-/m0/s1
InChIKey PFCXQHWLAVPEPW-UCQYVNLYSA-N
Mol Weight 456.8 g/mol
Molecular Formula C29H48O2Si
Exact Mass 456.342357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XAvd3qTfca
Name (2R)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-butyn-2-ol
CAS Registry Number 123413-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O2Si
InChI InChI=1S/C29H48O2Si/c1-10-29(7,30)25-14-13-23-22-12-11-20-19-21(31-32(8,9)26(2,3)4)15-17-27(20,5)24(22)16-18-28(23,25)6/h1,11,21-25,30H,12-19H2,2-9H3/t21-,22-,23-,24-,25-,27-,28-,29-/m0/s1
InChIKey PFCXQHWLAVPEPW-UCQYVNLYSA-N
Molecular Weight 456.786 g/mol
SMILES O[C@@](C#C)([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])(CC1)[H])C)[H])C
SPLASH splash10-0002-0009000000-33827b359b56a2c620f1
Source of Spectrum F-45-159-3
Synonyms (2R)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]but-3-yn-2-ol
Wiley ID 1389445