Methyl 9(s)-9-methyl-8-oxo-8,9-seco-labdan-15-oate

SpectraBase Compound ID	DDaRsL4ymxg
InChI	InChI=1S/C22H40O3/c1-16(15-20(24)25-7)9-10-17(2)22(6)14-8-13-21(4,5)19(22)12-11-18(3)23/h16-17,19H,8-15H2,1-7H3/t16-,17+,19-,22+/m0/s1
InChIKey	URVRIJGXPPIOGD-WCIYBSDLSA-N Google Search
Mol Weight	352.6 g/mol
Molecular Formula	C22H40O3
Exact Mass	352.297745 g/mol

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SpectraBase Spectrum ID	BCksFxj17D8
Name	Methyl 9(s)-9-methyl-8-oxo-8,9-seco-labdan-15-oate
CAS Registry Number	108944-94-1
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H40O3
InChI	InChI=1S/C22H40O3/c1-16(15-20(24)25-7)9-10-17(2)22(6)14-8-13-21(4,5)19(22)12-11-18(3)23/h16-17,19H,8-15H2,1-7H3/t16-,17+,19-,22+/m0/s1
InChIKey	URVRIJGXPPIOGD-WCIYBSDLSA-N
Molecular Weight	352.559 g/mol
SMILES	[C@@]1([C@](C(C)(C)CCC1)(CCC(=O)C)[H])([C@@](CC[C@@](CC(=O)OC)(C)[H])(C)[H])C
SPLASH	splash10-00r6-9201000000-4f806584b2696f812e73
Source of Spectrum	F-42-4570-7
Synonyms	Methyl (3S,6R,1'R,2'S)-3,6-dimethyl-6-(1,3,3-trimethyl-2-(3-oxo-butyl)-1-cyclohexyl)-hexanoate (3S,6R)-3-methyl-6-[(1R,2S)-1,3,3-trimethyl-2-(3-oxobutyl)cyclohexyl]heptanoic acid methyl ester (3S,6R)-6-[(1R,2S)-2-(3-ketobutyl)-1,3,3-trimethyl-cyclohexyl]-3-methyl-enanthic acid methyl ester Methyl (3s,6s,1'R,2's)-3,6-dimethyl-6-(1,3,3-trimethyl-2-(3-oxo-butyl)-1-cyclohexyl)-hexanoate Methyl 3(S),6(R),1'(R),2'(S)-3,6-dimethyl-6-[1,3,3-trimethyl-2-(3-oxo-buty-1-cyclohexyl]-hexanoate Methyl 3(s),6(s),1'(r),2'(S)-3,6-dimethyl-6-[1,3,3-trimethyl-2-(3-oxo-butyl)-1-cyclohexyl]-hexaoate Methyl (3S,6R)-3-methyl-6-[(1R,2S)-1,3,3-trimethyl-2-(3-oxobutyl)cyclohexyl]heptanoate Methyl (3S,6R)-3-methyl-6-[(1R,2S)-1,3,3-trimethyl-2-(3-oxidanylidenebutyl)cyclohexyl]heptanoate Methyl 9(r)-9-methyl-8-oxo-8,9-seco-labdan-15-oate
Wiley ID	1343630