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1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8a-dimethyl-2-oxo-, ethyl ester, [1R-(1.alpha.,4a.beta.,5.alpha.,8a.alpha.)]-
SpectraBase Compound ID DV0u5HcnA1C
InChI InChI=1S/C18H28O5/c1-5-23-15(20)11-12-13(19)7-8-14-17(12,2)9-6-10-18(14,3)16(21)22-4/h12,14H,5-11H2,1-4H3/t12-,14+,17+,18+/m0/s1
InChIKey PYPMPOSWSOFSRL-WPPQDWHVSA-N
Mol Weight 324.42 g/mol
Molecular Formula C18H28O5
Exact Mass 324.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXOcAAUrJ4c
Name 1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8a-dimethyl-2-oxo-, ethyl ester, [1R-(1.alpha.,4a.beta.,5.alpha.,8a.alpha.)]-
CAS Registry Number 81757-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O5
InChI InChI=1S/C18H28O5/c1-5-23-15(20)11-12-13(19)7-8-14-17(12,2)9-6-10-18(14,3)16(21)22-4/h12,14H,5-11H2,1-4H3/t12-,14+,17+,18+/m0/s1
InChIKey PYPMPOSWSOFSRL-WPPQDWHVSA-N
Molecular Weight 324.417 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CCC([C@@]1(CC(=O)OCC)[H])=O)[H])C
SPLASH splash10-00di-0982000000-90b57e6b75f49371ac5f
Source of Spectrum B-35-189-0
Synonyms 12-Ethyl 19-methyl diester of 8-oxo-13,14,15,16,17-pentanorlabdane-12,19-dioic acid Methyl (1R,4aS,5R,8aR)-5-(2-ethoxy-2-oxoethyl)-1,4a-dimethyl-6-oxodecahydro-1-naphthalenecarboxylate
Wiley ID 1323202