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(3S,7E,10R,11S,13E,13bS)-10-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-11,13b-dimethyl-2,3,4,4a,5,6,6a,9,10,11,12,13b-dodecahydro-1H-cyclonona[a]naphthalen-3-yl acetate

View entire compound with spectra: 1 MS (GC)

(3S,7E,10R,11S,13E,13bS)-10-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-11,13b-dimethyl-2,3,4,4a,5,6,6a,9,10,11,12,13b-dodecahydro-1H-cyclonona[a]naphthalen-3-yl acetate
SpectraBase Compound ID 9XrBTg4IXu8
InChI InChI=1S/C31H52O2/c1-8-25(21(2)3)14-12-22(4)29-11-9-10-26-15-16-27-20-28(33-24(6)32)18-19-31(27,7)30(26)17-13-23(29)5/h9-10,17,21-23,25-29H,8,11-16,18-20H2,1-7H3/b10-9+,30-17+/t22?,23-,25+,26?,27?,28-,29+,31-/m0/s1
InChIKey XGKQLSOOKHMSLB-OOMHYGIZSA-N
Mol Weight 456.8 g/mol
Molecular Formula C31H52O2
Exact Mass 456.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CwXIHIQ3Y6
Name (3S,7E,10R,11S,13E,13bS)-10-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-11,13b-dimethyl-2,3,4,4a,5,6,6a,9,10,11,12,13b-dodecahydro-1H-cyclonona[a]naphthalen-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O2
InChI InChI=1S/C31H52O2/c1-8-25(21(2)3)14-12-22(4)29-11-9-10-26-15-16-27-20-28(33-24(6)32)18-19-31(27,7)30(26)17-13-23(29)5/h9-10,17,21-23,25-29H,8,11-16,18-20H2,1-7H3/b10-9+,30-17+/t22?,23-,25+,26?,27?,28-,29+,31-/m0/s1
InChIKey XGKQLSOOKHMSLB-OOMHYGIZSA-N
Molecular Weight 456.755 g/mol
SMILES [C@@]1(OC(C)=O)([H])CC2CCC3\C([C@]2(CC1)C)=C/C[C@@]([C@](C\C=C\3)(C(CC[C@](C(C)C)(CC)[H])C)[H])(C)[H]
SPLASH splash10-052e-9646000000-15a974fbc1b06f0f7ed0
Source of Spectrum Y1-39B-624-1a
Wiley ID 1744018