REL-LABD-12-EN-15(16)-OLID-7-ONE-8R-SPIRO-1'-[2S-(2,4,5-TRIMETHOXYPHENYL)-3-CYCLOHEXENE]

SpectraBase Compound ID	7vH2pKWpRzE
InChI	InChI=1S/C33H44O6/c1-31(2)14-9-15-32(3)27(12-11-21-13-17-39-30(21)35)33(29(34)20-28(31)32)16-8-7-10-23(33)22-18-25(37-5)26(38-6)19-24(22)36-4/h7,10-11,18-19,23,27-28H,8-9,12-17,20H2,1-6H3/b21-11+/t23-,27+,28-,32+,33-/m0/s1
InChIKey	PBWIOCBYNCZUKR-KFRZDANKSA-N Google Search
Mol Weight	536.7 g/mol
Molecular Formula	C33H44O6
Exact Mass	536.313789 g/mol

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SpectraBase Spectrum ID	L0upDEpvy7O
Name	Labd-12-en-15(16)-olid-7-one-8R-spiro{1'-[(2S)-2',4',5'-trimethoxyphenyl]-3-cyclohexene}
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H44O6
InChI	InChI=1S/C33H44O6/c1-31(2)14-9-15-32(3)27(12-11-21-13-17-39-30(21)35)33(29(34)20-28(31)32)16-8-7-10-23(33)22-18-25(37-5)26(38-6)19-24(22)36-4/h7,10-11,18-19,23,27-28H,8-9,12-17,20H2,1-6H3/b21-11+/t23-,27+,28-,32+,33-/m0/s1
InChIKey	PBWIOCBYNCZUKR-KFRZDANKSA-N
Molecular Weight	536.709 g/mol
SMILES	[C@@]12([C@@]([C@]3(CCCC([C@@]3(CC2=O)[H])(C)C)C)(C\C=C\2C(OCC2)=O)[H])[C@](c2c(cc(c(c2)OC)OC)OC)(C=CCC1)[H]
SPLASH	splash10-00ei-0490050000-6d264b1c82651511346f
Source of Spectrum	G4-64-517-2
Synonyms	(3E)-3-[2-[(1R,2R,3'S,4aS,8aS)-5,5,8a-trimethyl-3-oxo-3'-(2,4,5-trimethoxyphenyl)-1-spiro[1,4,4a,6,7,8-hexahydronaphthalene-2,4'-cyclohexene]yl]ethylidene]-2-oxolanone (3E)-3-[2-[(1R,2R,3'S,4aS,8aS)-5,5,8a-trimethyl-3-oxo-3'-(2,4,5-trimethoxyphenyl)spiro[1,4,4a,6,7,8-hexahydronaphthalene-2,4'-cyclohexene]-1-yl]ethylidene]oxolan-2-one (3E)-3-[2-[(1'R,3S,4R,4'aS,8'aS)-5',5',8'a-trimethyl-3'-oxo-3-(2,4,5-trimethoxyphenyl)spiro[cyclohexene-4,2'-decalin]-1'-yl]ethylidene]tetrahydrofuran-2-one (3E)-3-[2-[(1R,2R,3'S,4aS,8aS)-5,5,8a-trimethyl-3-oxidanylidene-3'-(2,4,5-trimethoxyphenyl)spiro[1,4,4a,6,7,8-hexahydronaphthalene-2,4'-cyclohexene]-1-yl]ethylidene]oxolan-2-one
Wiley ID	1608928