| SpectraBase Spectrum ID |
B0cQPoOBP4r |
| Name |
2-Pentenoic acid, 3-methyl-5-(1,2,3,4,4a,7,8,8a-octahydro-3,4-dihydroxy-1,2,4a,5-tetramethyl-7-oxo-1-naphthalenyl)-, methyl ester, [1R-[1.alpha.(E),2.beta.,3.alpha.,4.beta.,4a.beta.,8a.alpha.]]- |
| CAS Registry Number |
100324-75-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O5 |
| InChI |
InChI=1S/C21H32O5/c1-12(9-17(23)26-6)7-8-20(4)14(3)18(24)19(25)21(5)13(2)10-15(22)11-16(20)21/h9-10,14,16,18-19,24-25H,7-8,11H2,1-6H3/b12-9+/t14-,16-,18-,19+,20-,21+/m0/s1 |
| InChIKey |
SKIJEDHOPKFAMI-LWINVXAWSA-N |
| Molecular Weight |
364.482 g/mol |
| SMILES |
O[C@@]1([C@]([C@@]([C@@]([C@]2([C@]1(C(=CC(C2)=O)C)C)[H])(CC\C(=C\C(=O)OC)C)C)(C)[H])(O)[H])[H] |
| SPLASH |
splash10-0002-9037000000-ca9995f8f5fdf6f2c3be |
| Source of Spectrum |
F-41-5356-13 |
| Synonyms |
Methyl (2E)-5-[(1R,2R,3S,4S,4aS,8aS)-3,4-dihydroxy-1,2,4a,5-tetramethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methyl-2-pentenoate
Methyl-6.alpha.,7.beta.-dihydroxy-2-oxo-13e-kolavenoate |
| Wiley ID |
1350910 |
![2-Pentenoic acid, 3-methyl-5-(1,2,3,4,4a,7,8,8a-octahydro-3,4-dihydroxy-1,2,4a,5-tetramethyl-7-oxo-1-naphthalenyl)-, methyl ester, [1R-[1.alpha.(E),2.beta.,3.alpha.,4.beta.,4a.beta.,8a.alpha.]]-](/api/spectrum/B0cQPoOBP4r/structure.png?h=300&w=458 "2-Pentenoic acid, 3-methyl-5-(1,2,3,4,4a,7,8,8a-octahydro-3,4-dihydroxy-1,2,4a,5-tetramethyl-7-oxo-1-naphthalenyl)-, methyl ester, [1R-[1.alpha.(E),2.beta.,3.alpha.,4.beta.,4a.beta.,8a.alpha.]]-")
