| SpectraBase Spectrum ID |
9bu7lU4Yauu |
| Name |
1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, [3S-(3.alpha.,3a.alpha.,6.alpha.,8a.alpha.)]- |
| Alternate Name(s) |
Khusenic acid
Vetivenic acid
(+)-Zizanoic acid
(3S-(3alpha,3aalpha,6alpha,8aalpha))-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylic acid
Zizanoic acid
1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-
1H-3a.alpha.,6-Methanoazulene-3-carboxylic acid, 2,3.beta.,4,5,6.beta.,7,8,8a.alpha.-octahydro-7,7-dimethyl-8-methylene-
7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid
EINECS 240-332-5 |
| CAS Registry Number |
16203-25-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17) |
| InChIKey |
IJGMVUXEZUEDJR-UHFFFAOYSA-N |
| Molecular Weight |
234.339 g/mol |
| SMILES |
OC(C1C23C(CC1)C(C(C(CC3)C2)(C)C)=C)=O |
| SPLASH |
splash10-014m-7910000000-4c9440abe51dd5a0869f |
| Source of Spectrum |
AD-0-905-0 |
| Wiley ID |
1236338 |
![1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, [3S-(3.alpha.,3a.alpha.,6.alpha.,8a.alpha.)]-](/api/spectrum/9bu7lU4Yauu/structure.png?h=300&w=458 "1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, [3S-(3.alpha.,3a.alpha.,6.alpha.,8a.alpha.)]-")
