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9a,11a-Dimethyl-1-(1-methyl-4-oxo-4-phenylbutyl)-3a,3b,5,5a,6,8,9,9a,9b,10,11a-dodecahydrocyclopenta[a]phenanthrene-4,7,11-trione

View entire compound with spectra: 1 MS (GC)

9a,11a-Dimethyl-1-(1-methyl-4-oxo-4-phenylbutyl)-3a,3b,5,5a,6,8,9,9a,9b,10,11a-dodecahydrocyclopenta[a]phenanthrene-4,7,11-trione
SpectraBase Compound ID I4pryKjlze4
InChI InChI=1S/C30H38O4/c1-18(9-12-25(32)19-7-5-4-6-8-19)22-10-11-23-28-24(17-27(34)30(22,23)3)29(2)14-13-21(31)15-20(29)16-26(28)33/h4-8,18,20,22-24,28H,9-17H2,1-3H3/t18?,20?,22?,23?,24?,28?,29-,30+/m0/s1
InChIKey ZHLXMAFUNNADSO-KYODXYFGSA-N
Mol Weight 462.6 g/mol
Molecular Formula C30H38O4
Exact Mass 462.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKpvGuGEoWg
Name 9a,11a-Dimethyl-1-(1-methyl-4-oxo-4-phenylbutyl)-3a,3b,5,5a,6,8,9,9a,9b,10,11a-dodecahydrocyclopenta[a]phenanthrene-4,7,11-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38O4
InChI InChI=1S/C30H38O4/c1-18(9-12-25(32)19-7-5-4-6-8-19)22-10-11-23-28-24(17-27(34)30(22,23)3)29(2)14-13-21(31)15-20(29)16-26(28)33/h4-8,18,20,22-24,28H,9-17H2,1-3H3/t18?,20?,22?,23?,24?,28?,29-,30+/m0/s1
InChIKey ZHLXMAFUNNADSO-KYODXYFGSA-N
Molecular Weight 462.630 g/mol
SMILES [C@@]12(C(C3C(CC4[C@@](C3CC2=O)(CCC(=O)C4)C)=O)CCC1C(CCC(=O)c1ccccc1)C)C
SPLASH splash10-00di-0905500000-d97e6b50363f4559fd7e
Source of Spectrum U1-2002-3265-10
Wiley ID 1523157