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(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one oxime

View entire compound with spectra: 1 NMR, and 4 MS (GC)

(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one oxime
SpectraBase Compound ID 24siRbjHGFd
InChI InChI=1S/C27H45NO/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28-29)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h11,18-23,29H,6-10,12-17H2,1-5H3/b28-25-/t19-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey IGFLSVGQDROTSC-IDGHRJBNSA-N
Mol Weight 399.7 g/mol
Molecular Formula C27H45NO
Exact Mass 399.350115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6tkswNNA45A
Name (8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[A]phenanthren-6-one oxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.350115072 u
Formula C27H45NO
InChI InChI=1S/C27H45NO/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28-29)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h11,18-23,29H,6-10,12-17H2,1-5H3/b28-25-/t19-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey IGFLSVGQDROTSC-IDGHRJBNSA-N
Molecular Weight 399.663 g/mol
SMILES [C@@]12([C@]([C@@]3(C\C(=N\O)C=4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C