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(8R,9S,13S,14S,17S)-13-methyl-2-propan-2-yl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID JgJHbxH0ks0
InChI InChI=1S/C21H30O2/c1-12(2)16-11-17-13(10-19(16)22)4-5-15-14(17)8-9-21(3)18(15)6-7-20(21)23/h10-12,14-15,18,20,22-23H,4-9H2,1-3H3/t14-,15+,18-,20-,21-/m0/s1
InChIKey BOVYOICPMDWTMP-DCHLLWBOSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmBCUvjNagC
Name (8R,9S,13S,14S,17S)-13-methyl-2-propan-2-yl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Alternate Name(s) (8R,9S,13S,14S,17S)-2-isopropyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Registry Number 119829-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-12(2)16-11-17-13(10-19(16)22)4-5-15-14(17)8-9-21(3)18(15)6-7-20(21)23/h10-12,14-15,18,20,22-23H,4-9H2,1-3H3/t14-,15+,18-,20-,21-/m0/s1
InChIKey BOVYOICPMDWTMP-DCHLLWBOSA-N
Molecular Weight 314.469 g/mol
SMILES Oc1c(cc2c(CC[C@]3([C@]4([C@@]([C@](CC4)(O)[H])(CC[C@]23[H])C)[H])[H])c1)C(C)C
SPLASH splash10-03dj-0379000000-06356f59cd28e9c16783
Source of Spectrum B-41-1147-1
Wiley ID 1315593