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(13S,16S)-methyl 3-methoxy-13-methyl-17-oxo-16-(pent-4-enyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16-carboxylate
SpectraBase Compound ID DpusTPZp7zH
InChI InChI=1S/C26H34O4/c1-5-6-7-13-26(24(28)30-4)16-22-21-10-8-17-15-18(29-3)9-11-19(17)20(21)12-14-25(22,2)23(26)27/h5,9,11,15,20-22H,1,6-8,10,12-14,16H2,2-4H3/t20?,21?,22?,25-,26-/m0/s1
InChIKey FBJJKDOTHZAZCS-CQLBDBTHSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RUSEkJlui
Name (13S,16S)-methyl 3-methoxy-13-methyl-17-oxo-16-(pent-4-enyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16-carboxylate
Alternate Name(s) 5-[3'-methoxy-16'.beta.-(methoxycarbonyl)-17'-oxo-1',3',5'(10')-estratrien-16'-.alpha./.beta.-yl]pentene 5-[3-methoxy-16.beta.-(methoxycarbonyl)-17-oxo-1,3,5(10)-estratrien-16-yl]pentene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-5-6-7-13-26(24(28)30-4)16-22-21-10-8-17-15-18(29-3)9-11-19(17)20(21)12-14-25(22,2)23(26)27/h5,9,11,15,20-22H,1,6-8,10,12-14,16H2,2-4H3/t20?,21?,22?,25-,26-/m0/s1
InChIKey FBJJKDOTHZAZCS-CQLBDBTHSA-N
Molecular Weight 410.554 g/mol
SMILES [C@@]1(C([C@]2(CCC3C(C2C1)CCc1cc(OC)ccc31)C)=O)(C(=O)OC)CCCC=C
SPLASH splash10-03di-0245900000-2d9196fb6835ab6c1858
Source of Spectrum G2-3-518-20
Wiley ID 1661460