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(5R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-5,9,11,12,14,15,16,17-octahydro-4H-cyclopenta[a]phenanthrene-3,6-dione

View entire compound with spectra: 1 MS (GC)

(5R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-5,9,11,12,14,15,16,17-octahydro-4H-cyclopenta[a]phenanthrene-3,6-dione
SpectraBase Compound ID LMnV8Xdyo1Q
InChI InChI=1S/C27H38O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h7,11,13,16,18,21-24H,6,8-10,12,14-15H2,1-5H3/t18-,21-,22+,23+,24+,26-,27-/m1/s1
InChIKey PKPMUXXHENSWQG-ZLNDANPTSA-N
Mol Weight 394.6 g/mol
Molecular Formula C27H38O2
Exact Mass 394.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9R3PSjXTh9A
Name (5R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-5,9,11,12,14,15,16,17-octahydro-4H-cyclopenta[a]phenanthrene-3,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O2
InChI InChI=1S/C27H38O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h7,11,13,16,18,21-24H,6,8-10,12,14-15H2,1-5H3/t18-,21-,22+,23+,24+,26-,27-/m1/s1
InChIKey PKPMUXXHENSWQG-ZLNDANPTSA-N
Molecular Weight 394.599 g/mol
SMILES C1=2[C@@]([C@]3(C=CC(C[C@]3(C(C2)=O)[H])=O)C)(CC[C@]2([C@]1(CC[C@@]2([C@@](CCC=C(C)C)(C)[H])[H])[H])C)[H]
SPLASH splash10-0006-0069000000-e3f4c89ff9ccb8c5e819
Source of Spectrum F-49-2496-24
Synonyms (5R,9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-10,13-dimethyl-5,9,11,12,14,15,16,17-octahydro-4H-cyclopenta[a]phenanthrene-3,6-dione (5R,9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-10,13-dimethyl-5,9,11,12,14,15,16,17-octahydro-4H-cyclopenta[a]phenanthrene-3,6-quinone
Wiley ID 1366892