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1-Naphthalenecarboxylic acid, decahydro-5,6-bis(2-methoxy-2-oxoethylidene)-1,4a-dimethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,8a.beta.)]-
SpectraBase Compound ID HsBWUZYeeGF
InChI InChI=1S/C20H28O6/c1-19-9-6-10-20(2,18(23)26-5)15(19)8-7-13(11-16(21)24-3)14(19)12-17(22)25-4/h11-12,15H,6-10H2,1-5H3/b13-11+,14-12+/t15-,19-,20+/m1/s1
InChIKey QLQINQVNKUHORN-XJOBUQLFSA-N
Mol Weight 364.44 g/mol
Molecular Formula C20H28O6
Exact Mass 364.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XVmnTM6tbp
Name 1-Naphthalenecarboxylic acid, decahydro-5,6-bis(2-methoxy-2-oxoethylidene)-1,4a-dimethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,8a.beta.)]-
CAS Registry Number 128737-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O6
InChI InChI=1S/C20H28O6/c1-19-9-6-10-20(2,18(23)26-5)15(19)8-7-13(11-16(21)24-3)14(19)12-17(22)25-4/h11-12,15H,6-10H2,1-5H3/b13-11+,14-12+/t15-,19-,20+/m1/s1
InChIKey QLQINQVNKUHORN-XJOBUQLFSA-N
Molecular Weight 364.438 g/mol
SMILES [C@@]12(\C(\C(CC[C@]2([C@](C(=O)OC)(C)CCC1)[H])=C\C(=O)OC)=C\C(=O)OC)C
SPLASH splash10-0a4i-1009000000-6ca0a71f74e632aaa635
Source of Spectrum B-43-498-55
Synonyms Methyl (1S,4aS,5E,6E,8aR)-5,6-bis(2-methoxy-2-oxoethylidene)-1,4a-dimethyldecahydro-1-naphthalenecarboxylate Trimethyl 12,13-secopodocarpa-8(14),9(11)-diene-12,13,16-trioate Trimethyl 12,13-secopodocarpa-8(14),9(11)-diene-12,13,19-trioate
Wiley ID 1350794