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2-Butenoic acid, 2-methyl-, decahydro-1-hydroxy-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naph thalenyl ester, [1S-[1.alpha.,2.alpha.(Z),4a.beta.,8a.alpha.]]-
SpectraBase Compound ID DpbXqTY76Hm
InChI InChI=1S/C20H30O4/c1-7-13(4)18(22)24-17-8-9-19(5)11-15(21)14(12(2)3)10-16(19)20(17,6)23/h7,16-17,23H,8-11H2,1-6H3/b13-7-/t16-,17-,19-,20+/m1/s1
InChIKey KNSVBXYIPSLXCS-UJDBXMCVSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUy03AdKnil
Name 2-Butenoic acid, 2-methyl-, decahydro-1-hydroxy-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naph thalenyl ester, [1S-[1.alpha.,2.alpha.(Z),4a.beta.,8a.alpha.]]-
Alternate Name(s) (1S,2R,4aR,8aR)-1-hydroxy-1,4a-dimethyl-7-(1-methylethylidene)-6-oxodecahydro-2-naphthalenyl (2Z)-2-methyl-2-butenoate Cuauhtemon-3-angelicate Cuauhtemone-3-angelicate
CAS Registry Number 60756-54-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-7-13(4)18(22)24-17-8-9-19(5)11-15(21)14(12(2)3)10-16(19)20(17,6)23/h7,16-17,23H,8-11H2,1-6H3/b13-7-/t16-,17-,19-,20+/m1/s1
InChIKey KNSVBXYIPSLXCS-UJDBXMCVSA-N
Molecular Weight 334.456 g/mol
SMILES O[C@]1([C@@]2(CC(C(C[C@]2(CC[C@]1(OC(\C(=C/C)C)=O)[H])C)=O)=C(C)C)[H])C
SPLASH splash10-001i-9042000000-1a598026cf9b82227184
Source of Spectrum K-109-2656-0
Wiley ID 1331106