(3R,3aR,5aS,6R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-6-(3-oxobutyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one

SpectraBase Compound ID	6A2eiMLK39s
InChI	InChI=1S/C27H46O2/c1-18(2)8-7-9-19(3)22-11-12-23-21-10-13-25(29)27(6,16-14-20(4)28)24(21)15-17-26(22,23)5/h18-19,21-24H,7-17H2,1-6H3/t19-,21+,22-,23+,24+,26-,27-/m1/s1
InChIKey	IVMZGAITHDXDDK-MHFFPTMQSA-N Google Search
Mol Weight	402.7 g/mol
Molecular Formula	C27H46O2
Exact Mass	402.349781 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	3PRLm01OE72
Name	(3R,3aR,5aS,6R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-6-(3-oxobutyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H46O2
InChI	InChI=1S/C27H46O2/c1-18(2)8-7-9-19(3)22-11-12-23-21-10-13-25(29)27(6,16-14-20(4)28)24(21)15-17-26(22,23)5/h18-19,21-24H,7-17H2,1-6H3/t19-,21+,22-,23+,24+,26-,27-/m1/s1
InChIKey	IVMZGAITHDXDDK-MHFFPTMQSA-N
Molecular Weight	402.663 g/mol
SMILES	[C@@]12([C@]([C@@]3(CCC([C@@]([C@]3(CC2)[H])(CCC(=O)C)C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH	splash10-001i-0009100000-17c0c73e5b93d1ba30b5
Source of Spectrum	K-112-1612-0
Synonyms	(3R,3aR,5aS,6R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-6-(3-ketobutyl)-3a,6-dimethyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrobenz[e]inden-7-one (3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-6-(3-oxidanylidenebutyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one (3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-6-(3-oxobutyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one
Wiley ID	1370669