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(8R,9S,10R,13S,14S,17R)-17-acetyl-17-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 4Mj9XD3Rkb8
InChI InChI=1S/C22H32O3/c1-14(23)22(25-4)12-9-19-17-6-5-15-13-16(24)7-10-20(15,2)18(17)8-11-21(19,22)3/h13,17-19H,5-12H2,1-4H3/t17-,18+,19+,20+,21+,22+/m1/s1
InChIKey BYKGBGGTSKSTJK-GUCLMQHLSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgEp60ze7n0
Name (8R,9S,10R,13S,14S,17R)-17-acetyl-17-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Alternate Name(s) (8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one 17-Methoxypregn-4-ene-3,20-dione
CAS Registry Number 13254-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-14(23)22(25-4)12-9-19-17-6-5-15-13-16(24)7-10-20(15,2)18(17)8-11-21(19,22)3/h13,17-19H,5-12H2,1-4H3/t17-,18+,19+,20+,21+,22+/m1/s1
InChIKey BYKGBGGTSKSTJK-GUCLMQHLSA-N
Molecular Weight 344.495 g/mol
SMILES [C@@]12([C@](CC[C@]2([C@@]2(CCC=3[C@@]([C@]2(CC1)[H])(CCC(=O)C3)C)[H])[H])(C(=O)C)OC)C
SPLASH splash10-0gbc-9774000000-f70d31009c06bc3f574e
Source of Spectrum JZ-1992-2663-0
Wiley ID 1338259