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2,3-Epoxy-1H-cyclopenta[a]phenanthrene, pregna-7,16-dien-20-one deriv.
SpectraBase Compound ID rw6g2uc1Vx
InChI InChI=1S/C21H28O3/c1-11(22)15-6-7-16-14-5-4-12-8-13-9-19(24-13)20(12,2)17(14)10-18(23)21(15,16)3/h5-6,12-13,16-19,23H,4,7-10H2,1-3H3/t12-,13-,16-,17-,18+,19-,20-,21+/m0/s1
InChIKey YRXFUJPRSSNQAO-ORHICNHRSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZMrIOhtqe5
Name 2,3-Epoxy-1H-cyclopenta[a]phenanthrene, pregna-7,16-dien-20-one deriv.
CAS Registry Number 114318-23-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-11(22)15-6-7-16-14-5-4-12-8-13-9-19(24-13)20(12,2)17(14)10-18(23)21(15,16)3/h5-6,12-13,16-19,23H,4,7-10H2,1-3H3/t12-,13-,16-,17-,18+,19-,20-,21+/m0/s1
InChIKey YRXFUJPRSSNQAO-ORHICNHRSA-N
Molecular Weight 328.452 g/mol
SMILES O[C@]1([C@]2([C@](C3=CC[C@@]4([C@@]([C@]3(C1)[H])([C@]1(O[C@@](C4)(C1)[H])[H])C)[H])(CC=C2C(=O)C)[H])C)[H]
SPLASH splash10-0005-6198000000-a63f0b5d75675a53061e
Source of Spectrum H-71-69-0
Synonyms Pregna-7,16-dien-20-one, 2,3-epoxy-12-hydroxy-, (2.alpha.,3.alpha.,5.alpha.,12.beta.)- (+)-1.alpha.,3.alpha.-epoxy-12.beta.-hydroxy-5.alpha.-pregna-7,16-dien-20-one 1-[(1S,2S,3S,5R,6S,10S,14S,16S)-5-hydroxy-2,6-dimethyl-17-oxapentacyclo[14.1.1.0(2,14).0(3,11).0(6,10)]octadeca-7,11-dien-7-yl]ethanone
Wiley ID 1326683