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4,5-Epoxy-5H-cyclopenta[a]phenanthrene, androstan-3-one deriv.
SpectraBase Compound ID LlERTuX3j73
InChI InChI=1S/C19H28O4/c1-17-7-5-13-11(12(17)2-3-15(17)22)4-9-19-16(23-19)14(21)6-8-18(13,19)10-20/h11-13,15-16,20,22H,2-10H2,1H3/t11-,12-,13-,15-,16?,17-,18-,19-/m0/s1
InChIKey NVCPCRZPJPGIJK-NVZJDZKLSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApL7BnLwUXP
Name 4,5-Epoxy-5H-cyclopenta[a]phenanthrene, androstan-3-one deriv.
Alternate Name(s) 5.beta.-Androstan-3-one, 4.beta.,5-epoxy-17.beta.,19-dihydroxy- Androstan-3-one, 4,5-epoxy-17,19-dihydroxy-, (4.beta.,5.beta.,17.beta.)- (4aR,4bS,6aS,7S,9aS,9bS,11aR)-7-hydroxy-4a-(hydroxymethyl)-6a-methyltetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1aH)-one 17.beta.,19-dihydroxy-4.beta.,5-epoxy-5.beta.-androstan-3-one
CAS Registry Number 23463-01-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-17-7-5-13-11(12(17)2-3-15(17)22)4-9-19-16(23-19)14(21)6-8-18(13,19)10-20/h11-13,15-16,20,22H,2-10H2,1H3/t11-,12-,13-,15-,16?,17-,18-,19-/m0/s1
InChIKey NVCPCRZPJPGIJK-NVZJDZKLSA-N
Molecular Weight 320.429 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]3(CC[C@]45[C@](CO)(CCC(C5O4)=O)[C@]3(CC2)[H])[H])(CC1)[H])C)[H]
SPLASH splash10-0006-9083000000-2cd859cd26b62f37767a
Source of Spectrum KC-1989-1315-15
Wiley ID 1320284