SpectraBase Spectrum ID |
34iMAIa9A7Q |
Name |
3a,7-Ethano-3aH-indene-4-carboxylic acid, 2,3,4,5,6,7-hexahydro-8,8-dimethyl-2-oxo-, (3a.alpha.,4.beta.,7.alpha.)-(.+-.)- |
Alternate Name(s) |
(1R+,6S+,7S+)-10,10-dimethyl-7-carboxy-tricyclo[4.3.2.0]undec-2-en-4-one
(1R,6S,9S)-11,11-dimethyl-3-oxotricyclo[4.3.2.0(1,5)]undec-4-ene-9-carboxylic acid |
CAS Registry Number |
78739-64-7 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C14H18O3 |
InChI |
InChI=1S/C14H18O3/c1-13(2)7-14-6-8(15)5-11(14)9(13)3-4-10(14)12(16)17/h5,9-10H,3-4,6-7H2,1-2H3,(H,16,17)/t9-,10+,14-/m0/s1 |
InChIKey |
JBUUTQJJUGSLHQ-RBZYPMLTSA-N |
Molecular Weight |
234.295 g/mol |
SMILES |
OC([C@@]1([C@]23C([C@@]([H])(C(C3)(C)C)CC1)=CC(C2)=O)[H])=O |
SPLASH |
splash10-001i-0910000000-da4764f9ac68ae22d51a |
Source of Spectrum |
F-39-3244-0 |
Wiley ID |
1236108 |