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(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID AaEeWPtTlUO
InChI InChI=1S/C27H40O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8-9,12,15,17-18,21-24,29H,6-7,10-11,13-14,16H2,1-5H3/t18-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey HIRJUBYXEOKIMY-REEZCCHISA-N
Mol Weight 396.6 g/mol
Molecular Formula C27H40O2
Exact Mass 396.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8h7py8eP8c
Name (8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[A]phenanthren-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.302830526 u
Formula C27H40O2
InChI InChI=1S/C27H40O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8-9,12,15,17-18,21-24,29H,6-7,10-11,13-14,16H2,1-5H3/t18-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey HIRJUBYXEOKIMY-REEZCCHISA-N
Molecular Weight 396.615 g/mol
SMILES [C@@]12(C(C=C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)([C@@](CCCC(O)(C)C)(C)[H])[H])[H])[H])=CC(C=C2)=O)C