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(3R,6R)-6-[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptane-2,3-diol

View entire compound with spectra: 1 MS (GC)

(3R,6R)-6-[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptane-2,3-diol
SpectraBase Compound ID H8O0TQJD29T
InChI InChI=1S/C27H44O3/c1-17(6-11-24(29)25(2,3)30)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7-8,17,19,21-24,28-30H,6,9-16H2,1-5H3/t17-,19+,21-,22+,23+,24-,26+,27-/m1/s1
InChIKey JTJWFLUAWMFCRO-XLTWPSKOSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZvgppGD0Tp
Name (3R,6R)-6-[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptane-2,3-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-17(6-11-24(29)25(2,3)30)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7-8,17,19,21-24,28-30H,6,9-16H2,1-5H3/t17-,19+,21-,22+,23+,24-,26+,27-/m1/s1
InChIKey JTJWFLUAWMFCRO-XLTWPSKOSA-N
Molecular Weight 416.646 g/mol
SMILES OC([C@@](CC[C@]([C@]1(CC[C@]2(C3=CC=C4C[C@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(O)[H])[H])[H])(C)[H])(O)[H])(C)C
SPLASH splash10-0api-2209300000-72b95acb758bafe4a1f0
Source of Spectrum SO-0-195-7
Synonyms (3R,6R)-6-[(3S,9S,10R,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptane-2,3-diol
Wiley ID 1541220