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3.beta.-Hydroxy-20.beta.-acetyloxypregn-4-ene
SpectraBase Compound ID CjUEdcwhj5n
InChI InChI=1S/C23H36O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h13-14,17-21,25H,5-12H2,1-4H3/t14-,17+,18+,19-,20+,21+,22+,23-/m1/s1
InChIKey XKACVNGHKARXBP-ZLTRAVGQSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aQt3ouY0Gx
Name 3.beta.-Hydroxy-20.beta.-acetyloxypregn-4-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h13-14,17-21,25H,5-12H2,1-4H3/t14-,17+,18+,19-,20+,21+,22+,23-/m1/s1
InChIKey XKACVNGHKARXBP-ZLTRAVGQSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.c10
Molecular Weight 360.538 g/mol
SMILES O[C@]1(CC[C@]2(C(=C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](C)(OC(C)=O)[H])[H])[H])C)[H])[H])C)[H]
SPLASH splash10-0006-9011000000-d70f577fb929475f13d9
Source of Spectrum ARK-2005-159-2
Wiley ID 1870892