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(1R,4aR,4bS,7Z,8R,8aS,10aR)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(1R,4aR,4bS,7Z,8R,8aS,10aR)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID 6Hq8i5RFjsv
InChI InChI=1S/C22H32O5/c1-13-14(11-18(24)26-4)7-8-15-19(13)16(23)12-17-21(15,2)9-6-10-22(17,3)20(25)27-5/h11,13,15,17,19H,6-10,12H2,1-5H3/b14-11-/t13-,15-,17+,19-,21+,22+/m0/s1
InChIKey UMKMKHVTQXNBRV-IMNPJZNZSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeW6oDqitmh
Name (1R,4ar,4bs,7Z,8R,8as,10Ar)-7-(2-methoxy-2-oxoethylidene)-1,4A,8-trimethyl-9-oxo-2,3,4,4B,5,6,8,8A,10,10A-decahydrophenanthrene-1-carboxylic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.224974125 u
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-13-14(11-18(24)26-4)7-8-15-19(13)16(23)12-17-21(15,2)9-6-10-22(17,3)20(25)27-5/h11,13,15,17,19H,6-10,12H2,1-5H3/b14-11-/t13-,15-,17+,19-,21+,22+/m0/s1
InChIKey UMKMKHVTQXNBRV-IMNPJZNZSA-N
Molecular Weight 376.493 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CC([C@@]2([C@@]1(CC\C(=C\C(=O)OC)[C@@]2(C)[H])[H])[H])=O)[H])C