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Androst-5-en-3-ol, benzoate, (3.beta.)-
SpectraBase Compound ID BnuyzxjFoUV
InChI InChI=1S/C26H34O2/c1-25-14-6-9-22(25)21-11-10-19-17-20(12-16-26(19,2)23(21)13-15-25)28-24(27)18-7-4-3-5-8-18/h3-5,7-8,10,20-23H,6,9,11-17H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
InChIKey NCPRXFDSKJBVHB-IXKNJLPQSA-N
Mol Weight 378.6 g/mol
Molecular Formula C26H34O2
Exact Mass 378.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHYlSDfqB1S
Name Androst-5-en-3-ol, benzoate, (3.beta.)-
Alternate Name(s) (3beta)-androst-5-en-3-yl benzoate Androst-5-en-3.beta.-ol, benzoate Androst-5-en-3.beta.-yl benzoate
CAS Registry Number 15019-08-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O2
InChI InChI=1S/C26H34O2/c1-25-14-6-9-22(25)21-11-10-19-17-20(12-16-26(19,2)23(21)13-15-25)28-24(27)18-7-4-3-5-8-18/h3-5,7-8,10,20-23H,6,9,11-17H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
InChIKey NCPRXFDSKJBVHB-IXKNJLPQSA-N
Molecular Weight 378.556 g/mol
SMILES [C@]12(C(=CC[C@@]3([C@@]2(CC[C@@]2(CCC[C@@]32[H])C)[H])[H])C[C@@](OC(=O)c2ccccc2)(CC1)[H])C
SPLASH splash10-0a4i-0290000000-f68efda927f0747ab838
Source of Spectrum B-35-2124-0
Wiley ID 1359083