For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Naphthalenecarboxylic acid, decahydro-5-(2-methoxy-2-oxoethylidene)-1,4a-dimethyl-6-oxo-, methyl ester, [1S-(1.alpha.,4a.alpha.,8a.beta.)]-
SpectraBase Compound ID 1ePfmoaZczW
InChI InChI=1S/C17H24O5/c1-16-8-5-9-17(2,15(20)22-4)13(16)7-6-12(18)11(16)10-14(19)21-3/h10,13H,5-9H2,1-4H3/b11-10+/t13-,16-,17+/m1/s1
InChIKey BWROUDADMYSZEJ-GAKURFHLSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8x6asErke3b
Name 1-Naphthalenecarboxylic acid, decahydro-5-(2-methoxy-2-oxoethylidene)-1,4a-dimethyl-6-oxo-, methyl ester, [1S-(1.alpha.,4a.alpha.,8a.beta.)]-
CAS Registry Number 81757-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-16-8-5-9-17(2,15(20)22-4)13(16)7-6-12(18)11(16)10-14(19)21-3/h10,13H,5-9H2,1-4H3/b11-10+/t13-,16-,17+/m1/s1
InChIKey BWROUDADMYSZEJ-GAKURFHLSA-N
Molecular Weight 308.374 g/mol
SMILES [C@@]12(\C(C(CC[C@]2([C@](C(=O)OC)(C)CCC1)[H])=O)=C\C(=O)OC)C
SPLASH splash10-004j-0791000000-cdac0670464e45a00986
Source of Spectrum B-35-191-0
Synonyms 12,8-Lactone of 19-methyl hydrogen ester of 8.alpha.-hydroxy-8.beta.-methoxy-13,14,15,16,17-pentanorlabda-7,9(11)-diene-12,19-dioic acid Methyl (1S,4aS,5Z,8aR)-5-(2-methoxy-2-oxoethylidene)-1,4a-dimethyl-6-oxodecahydro-1-naphthalenecarboxylate
Wiley ID 1309776