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B-Homo-17-O-tert-butyl-2,4-diacetoxy-3-oxa-4-dehydrotestosteron-6-one
SpectraBase Compound ID 75A9o28xzi
InChI InChI=1S/C27H42O7/c1-15(28)31-22-14-27(7)19-12-13-26(6)18(9-11-21(26)34-25(3,4)5)17(19)8-10-20(30)23(27)24(33-22)32-16(2)29/h17-19,21-24H,8-14H2,1-7H3/t17?,18?,19?,21-,22?,23+,24?,26-,27+/m0/s1
InChIKey LVCFUWREYKDDKR-MDXZMGKHSA-N
Mol Weight 478.6 g/mol
Molecular Formula C27H42O7
Exact Mass 478.293054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lOVkrp1JAn
Name B-Homo-17-O-tert-butyl-2,4-diacetoxy-3-oxa-4-dehydrotestosteron-6-one
Alternate Name(s) Steroidal bis-acetoxy acetal (17-tert-Butoxy-2,4-diacetoxy-3-oxa-B-homo-androstan-6-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O7
InChI InChI=1S/C27H42O7/c1-15(28)31-22-14-27(7)19-12-13-26(6)18(9-11-21(26)34-25(3,4)5)17(19)8-10-20(30)23(27)24(33-22)32-16(2)29/h17-19,21-24H,8-14H2,1-7H3/t17?,18?,19?,21-,22?,23+,24?,26-,27+/m0/s1
InChIKey LVCFUWREYKDDKR-MDXZMGKHSA-N
Molecular Weight 478.626 g/mol
SMILES [C@@]12([C@@](C(OC(=O)C)OC(C2)OC(=O)C)(C(CCC2C3CC[C@@]([C@]3(CCC12)C)(OC(C)(C)C)[H])=O)[H])C
SPLASH splash10-0a4i-9005200000-e2b509f0aea6fe453d14
Source of Spectrum QC-10-1535-9
Wiley ID 871259