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4R,4aR,7R,7aS,10aR)-4-((R)-1,5-Dimethyl-hexyl)-7-methoxy-4a,7-dimethyl-hexadecahydro-naphtho[2,1-f]azulen-9-one
SpectraBase Compound ID 3OkWW00vzpM
InChI InChI=1S/C29H50O2/c1-19(2)9-7-10-20(3)24-11-8-12-25-23-14-13-21-17-22(30)18-27(21)29(5,31-6)26(23)15-16-28(24,25)4/h19-21,23-27H,7-18H2,1-6H3/t20-,21-,23?,24-,25?,26?,27+,28-,29+/m1/s1
InChIKey ARBPZYKOFRJKCJ-XIEYUAJHSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CEiG9j3aEW
Name 4R,4aR,7R,7aS,10aR)-4-((R)-1,5-Dimethyl-hexyl)-7-methoxy-4a,7-dimethyl-hexadecahydro-naphtho[2,1-f]azulen-9-one
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Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-19(2)9-7-10-20(3)24-11-8-12-25-23-14-13-21-17-22(30)18-27(21)29(5,31-6)26(23)15-16-28(24,25)4/h19-21,23-27H,7-18H2,1-6H3/t20-,21-,23?,24-,25?,26?,27+,28-,29+/m1/s1
InChIKey ARBPZYKOFRJKCJ-XIEYUAJHSA-N
Molecular Weight 430.717 g/mol
SMILES [C@@]12(C(C3CC[C@@]4(CC(C[C@@]4([C@](C3CC2)(OC)C)[H])=O)[H])CCC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-000i-6920000000-fdcaafe03cdde2dd0d0c
Source of Spectrum KC-1992-3109-15
Wiley ID 777372