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11H-Cyclopenta[a]phenanthrene-15-carboxylic acid, 12,13,16,17-tetrahydro-3-methoxy-13-methyl-17-oxo-, methyl ester, (S)-
SpectraBase Compound ID 13HyDeO8gcJ
InChI InChI=1S/C21H20O4/c1-21-9-8-15-14-7-5-13(24-2)10-12(14)4-6-16(15)19(21)17(11-18(21)22)20(23)25-3/h4-7,10H,8-9,11H2,1-3H3
InChIKey VJYQIRDCBRFLQG-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GMtdczjGfj
Name 11H-Cyclopenta[a]phenanthrene-15-carboxylic acid, 12,13,16,17-tetrahydro-3-methoxy-13-methyl-17-oxo-, methyl ester, (S)-
Alternate Name(s) Methyl 3-methoxy-17-oxoestra-1,3,5(10),6,8,14-hexaene-15-carboxylate 17-keto-3-methoxy-13-methyl-12,16-dihydro-11H-cyclopenta[a]phenanthrene-15-carboxylic acid methyl ester 3-Methoxy-13-methyl-17-oxo-12,16-dihydro-11H-cyclopenta[a]phenanthrene-15-carboxylic acid methyl ester Methyl 3-methoxy-13-methyl-17-oxidanylidene-12,16-dihydro-11H-cyclopenta[a]phenanthrene-15-carboxylate Methyl 3-methoxy-13-methyl-17-oxo-12,16-dihydro-11H-cyclopenta[a]phenanthrene-15-carboxylate
CAS Registry Number 56588-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-21-9-8-15-14-7-5-13(24-2)10-12(14)4-6-16(15)19(21)17(11-18(21)22)20(23)25-3/h4-7,10H,8-9,11H2,1-3H3
InChIKey VJYQIRDCBRFLQG-UHFFFAOYSA-N
Molecular Weight 336.387 g/mol
SMILES CC12CCc3c4ccc(cc4ccc3C2=C(CC1=O)C(=O)OC)OC
SPLASH splash10-000i-2579000000-8c6f1a2ffca0fe1290cf
Source of Spectrum SD-1981-0-0
Wiley ID 1332607