SpectraBase Spectrum ID |
KOSKoxhWSa8 |
Name |
(1.alpha.,2.beta.,4a.beta.,5.beta.,8a.alpha.)-1-Ethenyl-2-methyl-6-oxo-5-(3-oxo-1-butyl)octahydro-2-naphthalenecarboxylic Acid |
Alternate Name(s) |
(1S,2S,4aS,5R,8aR)-2-methyl-6-oxo-5-(3-oxobutyl)-1-vinyldecahydro-2-naphthalenecarboxylic acid |
CAS Registry Number |
126724-87-6 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C18H26O4 |
InChI |
InChI=1S/C18H26O4/c1-4-15-13-7-8-16(20)14(6-5-11(2)19)12(13)9-10-18(15,3)17(21)22/h4,12-15H,1,5-10H2,2-3H3,(H,21,22)/t12-,13+,14+,15-,18-/m0/s1 |
InChIKey |
ZQWJLJVVPQDHDT-KIBLCYBISA-N |
Molecular Weight |
306.402 g/mol |
SMILES |
OC([C@@]1([C@]([C@@]2(CCC([C@@]([C@]2(CC1)[H])(CCC(=O)C)[H])=O)[H])(C=C)[H])C)=O |
SPLASH |
splash10-0006-9052000000-eca741a3ef89ee33c6a8 |
Source of Spectrum |
J-55-3956-11 |
Wiley ID |
1308235 |