| SpectraBase Spectrum ID |
AAnxm140OtS |
| Name |
1H-3a,6-Methanoazulene-3-carboxylic acid, 2,3,4,5,6,7-hexahydro-7,7,8-trimethyl-, methyl ester, [3S-(3.alpha.,3a.alpha.,6.alpha.)]- |
| Alternate Name(s) |
Methyl isokhusenate
1H-3a,6-methanoazulene-3-carboxylic acid, 2,3,4,5,6,7-hexahydro-7,7,8-trimethyl-, methyl ester, (3S,3aS,6R)-
Methyl (1S,2S,8R)-6,7,7-trimethyltricyclo[6.2.1.0(1,5)]undec-5-ene-2-carboxylate
(3S,3aS,6R)-methyl 7,7,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene-3-carboxylate |
| CAS Registry Number |
22628-42-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24O2 |
| InChI |
InChI=1S/C16H24O2/c1-10-12-5-6-13(14(17)18-4)16(12)8-7-11(9-16)15(10,2)3/h11,13H,5-9H2,1-4H3/t11-,13-,16-/m1/s1 |
| InChIKey |
XQSCFNJSNUXRLF-AXAPSJFSSA-N |
| Molecular Weight |
248.366 g/mol |
| SMILES |
[C@@]123C(=C(C)C([C@](C3)([H])CC1)(C)C)CC[C@@]2(C(=O)OC)[H] |
| SPLASH |
splash10-0002-4930000000-f7221983c6dbc5518f4c |
| Source of Spectrum |
AD-0-908-0 |
| Wiley ID |
1251603 |
![1H-3a,6-Methanoazulene-3-carboxylic acid, 2,3,4,5,6,7-hexahydro-7,7,8-trimethyl-, methyl ester, [3S-(3.alpha.,3a.alpha.,6.alpha.)]-](/api/spectrum/AAnxm140OtS/structure.png?h=300&w=458 "1H-3a,6-Methanoazulene-3-carboxylic acid, 2,3,4,5,6,7-hexahydro-7,7,8-trimethyl-, methyl ester, [3S-(3.alpha.,3a.alpha.,6.alpha.)]-")
