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(Z)-2-Methylbut-2-enoic acid (1S,2S,4aR,7R,8aR)-1-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxodecahydronaphthalen-2-yl ester
SpectraBase Compound ID 8SMG5Qs94s3
InChI InChI=1S/C20H32O4/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/h7,12,14,16-17,23H,8-11H2,1-6H3/b13-7-/t14-,16-,17+,19-,20+/m1/s1
InChIKey LZCAMMRMUKFTQK-BISWPGLTSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11QsL86A789
Name (Z)-2-Methylbut-2-enoic acid (1S,2S,4aR,7R,8aR)-1-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxodecahydronaphthalen-2-yl ester
Alternate Name(s) (1S,2S,4aR,7R,8aR)-1-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl (2Z)-2-methyl-2-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/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/h7,12,14,16-17,23H,8-11H2,1-6H3/b13-7-/t14-,16-,17+,19-,20+/m1/s1
InChIKey LZCAMMRMUKFTQK-BISWPGLTSA-N
Molecular Weight 336.472 g/mol
SMILES O[C@@]1([C@@](OC(\C(=C/C)C)=O)(CC[C@@]2(CC([C@](C[C@@]12[H])(C(C)C)[H])=O)C)[H])C
SPLASH splash10-053s-9210000000-a928d26f70dd04a9d811
Source of Spectrum KC-0-735-0
Wiley ID 830091