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Diethyl [(8R,9R,13S,14S,17S)-3,17-Dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynylphosphonate
SpectraBase Compound ID 1zlmyeFiPIm
InChI InChI=1S/C24H33O5P/c1-4-28-30(27,29-5-2)15-14-24(26)13-11-22-21-8-6-17-16-18(25)7-9-19(17)20(21)10-12-23(22,24)3/h7,9,16,20-22,25-26H,4-6,8,10-13H2,1-3H3/t20-,21+,22-,23-,24+/m0/s1
InChIKey IKGJPZBYMHSGGG-VHJOFQCFSA-N
Mol Weight 432.5 g/mol
Molecular Formula C24H33O5P
Exact Mass 432.206561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0wybSokBcb
Name Diethyl [(8R,9R,13S,14S,17S)-3,17-Dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynylphosphonate
Alternate Name(s) Diethyl (((8R,9R,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)ethynyl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33O5P
InChI InChI=1S/C24H33O5P/c1-4-28-30(27,29-5-2)15-14-24(26)13-11-22-21-8-6-17-16-18(25)7-9-19(17)20(21)10-12-23(22,24)3/h7,9,16,20-22,25-26H,4-6,8,10-13H2,1-3H3/t20-,21+,22-,23-,24+/m0/s1
InChIKey IKGJPZBYMHSGGG-VHJOFQCFSA-N
Literature Reference DOI 10.1021/acs.joc.5b02528
Molecular Weight 432.497 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@]3([C@](c4c(cc(cc4)O)CC3)(CC2)[H])[H])(CC1)[H])C)C#CP(OCC)(OCC)=O
SPLASH splash10-00di-0950000000-5c2d2c4632157206e1e9
Source of Spectrum J-81-1818-2t
Wiley ID 1804378