| SpectraBase Spectrum ID |
C5DwL6oA2Zs |
| Name |
4a(2H)-Naphthalenecarboxylic acid, 1-[2-(3-furanyl)ethyl]-1,3,4,7,8,8a-hexahydro-4-hydroxy-1,2,5-trimethyl-, methyl ester, [1S-(1.alpha.,2.beta.,4.beta.,4a.beta.,8a.alpha.)]- |
| Alternate Name(s) |
Kerlinic acid methyl ester
Methyl (1S,2S,4R,4aR,8aS)-1-[2-(3-furyl)ethyl]-4-hydroxy-1,2,5-trimethyl-1,3,4,7,8,8a-hexahydro-4a(2H)-naphthalenecarboxylate
Methyl(8-(2-(furan-3-yl)ethyl)-4,7,8-trimethyl-5-hydroxy-bicyclo[4.4.0]dec-3-en-4a-yl)methanoate |
| CAS Registry Number |
112606-15-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-14-6-5-7-17-20(3,10-8-16-9-11-25-13-16)15(2)12-18(22)21(14,17)19(23)24-4/h6,9,11,13,15,17-18,22H,5,7-8,10,12H2,1-4H3/t15-,17-,18+,20-,21-/m0/s1 |
| InChIKey |
HBUIVUNNEKOVHP-WJLOEWIOSA-N |
| Molecular Weight |
346.467 g/mol |
| SMILES |
O[C@]1([C@]2([C@]([C@](CCc3cocc3)(C)[C@](C1)(C)[H])(CCC=C2C)[H])C(=O)OC)[H] |
| SPLASH |
splash10-001j-9312000000-3381bac21eaa8d23d334 |
| Source of Spectrum |
I-65-2689-2 |
| Wiley ID |
1339501 |
![4a(2H)-Naphthalenecarboxylic acid, 1-[2-(3-furanyl)ethyl]-1,3,4,7,8,8a-hexahydro-4-hydroxy-1,2,5-trimethyl-, methyl ester, [1S-(1.alpha.,2.beta.,4.beta.,4a.beta.,8a.alpha.)]-](/api/spectrum/C5DwL6oA2Zs/structure.png?h=300&w=458 "4a(2H)-Naphthalenecarboxylic acid, 1-[2-(3-furanyl)ethyl]-1,3,4,7,8,8a-hexahydro-4-hydroxy-1,2,5-trimethyl-, methyl ester, [1S-(1.alpha.,2.beta.,4.beta.,4a.beta.,8a.alpha.)]-")
