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(3S,7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 5LmkwxjqsJx
InChI InChI=1S/C20H32O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h10,12,14-18,21-22H,4-9,11H2,1-3H3/t12-,14-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKey MTKFYSVLRNBPGI-XNMNPEGYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sKcFLxvvKd
Name (3S,7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h10,12,14-18,21-22H,4-9,11H2,1-3H3/t12-,14-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKey MTKFYSVLRNBPGI-XNMNPEGYSA-N
Molecular Weight 304.474 g/mol
SMILES O[C@]1(CC[C@]2([C@@]3([C@](C=C4[C@](CC[C@@](C4)(O)[H])([C@]3(CC[C@]12C)[H])C)(C)[H])[H])[H])[H]
SPLASH splash10-000i-0091000000-9fe6d4236a8fda7d2a6b
Source of Spectrum J-68-1606-11
Wiley ID 1536506