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16.alpha.-Hydroxymethylandrost-5-ene-3.beta.,17.beta.-diyl 17-acetate
SpectraBase Compound ID JrNpAdgLdnQ
InChI InChI=1S/C22H34O4/c1-13(24)26-20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,23,25H,5-12H2,1-3H3/t14-,16-,17?,18?,19?,20-,21-,22-/m0/s1
InChIKey PBMOKGIBDUDASY-MRRNKBLGSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0nvJIzMbwW
Name 16.alpha.-Hydroxymethylandrost-5-ene-3.beta.,17.beta.-diyl 17-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-13(24)26-20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,23,25H,5-12H2,1-3H3/t14-,16-,17?,18?,19?,20-,21-,22-/m0/s1
InChIKey PBMOKGIBDUDASY-MRRNKBLGSA-N
Molecular Weight 362.510 g/mol
SMILES O[C@]1(CC[C@]2(C(=CCC3C4[C@@]([C@]([C@](CO)(C4)[H])(OC(=O)C)[H])(CCC23)C)C1)C)[H]
SPLASH splash10-01ox-3649000000-fdbbf5be353b95df83c8
Source of Spectrum KC-0-2875-1
Synonyms (3beta,16alpha,17beta)-3-hydroxy-16-(hydroxymethyl)androst-5-en-17-yl acetate
Wiley ID 826419