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3-{[(t-Butyl)dimethylsilyl]oxy}-21-hydroxypregna-5,16-dien-20-one-Acetate
SpectraBase Compound ID FZwrP5lSV8t
InChI InChI=1S/C29H46O4Si/c1-19(30)32-18-26(31)25-12-11-23-22-10-9-20-17-21(33-34(7,8)27(2,3)4)13-15-28(20,5)24(22)14-16-29(23,25)6/h9,12,21-24H,10-11,13-18H2,1-8H3/t21?,22?,23?,24?,28-,29-/m0/s1
InChIKey RFQNJMPUAWGHJO-IIJVXSPASA-N
Mol Weight 486.8 g/mol
Molecular Formula C29H46O4Si
Exact Mass 486.316536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kc9k7RkGE1
Name 3-{[(t-Butyl)dimethylsilyl]oxy}-21-hydroxypregna-5,16-dien-20-one-Acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O4Si
InChI InChI=1S/C29H46O4Si/c1-19(30)32-18-26(31)25-12-11-23-22-10-9-20-17-21(33-34(7,8)27(2,3)4)13-15-28(20,5)24(22)14-16-29(23,25)6/h9,12,21-24H,10-11,13-18H2,1-8H3/t21?,22?,23?,24?,28-,29-/m0/s1
InChIKey RFQNJMPUAWGHJO-IIJVXSPASA-N
Molecular Weight 486.768 g/mol
SMILES [C@@]12(C(=CCC2C2CC=C3[C@@](C2CC1)(CCC(O[Si](C(C)(C)C)(C)C)C3)C)C(COC(=O)C)=O)C
SPLASH splash10-004i-9000500000-6e2577d0815e660db650
Source of Spectrum H-87-3002-10
Synonyms 3-{[(t-Butyl)dimethylsilyl]oxy}-21-hydroxypregna-5,16-dien-21-one-Acetate 3-{[tert-butyl(dimethyl)silyl]oxy}-20-oxopregna-5,16-dien-21-yl acetate
Wiley ID 1564172