| SpectraBase Spectrum ID |
9YF2dRdXXD0 |
| 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.]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.224974125 u |
| 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 |
[C@@]12([C@]([C@](CC\C(=C\C(=O)OC)C)(C)[C@]([C@@]([C@]2(O)[H])(O)[H])(C)[H])(CC(C=C1C)=O)[H])C |
![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/9YF2dRdXXD0/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.]]-")
