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4e6p7mHTH5b
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4e6p7mHTH5b
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Androstane, propanoic acid deriv.
SpectraBase Compound ID B2CHFiCTGEQ
InChI InChI=1S/C24H34O4/c1-4-28-21(26)8-5-15-13-20-18-7-6-16-14-17(25)9-11-23(16,2)19(18)10-12-24(20,3)22(15)27/h5-6,17-20,25H,4,7-14H2,1-3H3/b15-5+/t17-,18?,19?,20?,23-,24-/m0/s1
InChIKey VIRIOMSVNNYVCA-MTFLWJOGSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4e6p7mHTH5b
Name Androstane, propanoic acid deriv.
CAS Registry Number 94459-38-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-4-28-21(26)8-5-15-13-20-18-7-6-16-14-17(25)9-11-23(16,2)19(18)10-12-24(20,3)22(15)27/h5-6,17-20,25H,4,7-14H2,1-3H3/b15-5+/t17-,18?,19?,20?,23-,24-/m0/s1
InChIKey VIRIOMSVNNYVCA-MTFLWJOGSA-N
Molecular Weight 386.532 g/mol
SMILES O[C@]1(CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)C\C(C4=O)=C/CC(=O)OCC)C)C)[H]
SPLASH splash10-000i-0009000000-03869ef89548935b291c
Source of Spectrum J-50-643-11
Synonyms Propanoic acid, 3-[(3.beta.,16E)-3-hydroxy-17-oxoandrost-5-en-16-ylidene]-, ethyl ester Ethyl (3E)-3-[(3beta)-3-hydroxy-17-oxoandrost-5-en-16-ylidene]propanoate
Wiley ID 1362865
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