| SpectraBase Spectrum ID |
DTXR5V3WlxV |
| Name |
2-Pentenoic acid, 3-methyl-5-[1,2,3,4,4a,7,8,8a-octahydro-4-hydroxy-5-(hydroxymethyl)-1 ,2,4a-trimethyl-1-naphthalenyl]-, methyl ester, [1R-[1.alpha.(E),2.beta.,4.alpha.,4a.beta.,8a.alpha.]]- |
| CAS Registry Number |
79726-69-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-14(11-19(24)25-5)9-10-20(3)15(2)12-18(23)21(4)16(13-22)7-6-8-17(20)21/h7,11,15,17-18,22-23H,6,8-10,12-13H2,1-5H3/b14-11+/t15-,17-,18-,20+,21+/m0/s1 |
| InChIKey |
JBUAQUFKSAIGHN-SIZFCEBZSA-N |
| Molecular Weight |
350.499 g/mol |
| SMILES |
O[C@]1(C[C@@]([C@]([C@]2([C@]1(C(CO)=CCC2)C)[H])(CC\C(=C\C(=O)OC)C)C)(C)[H])[H] |
| SPLASH |
splash10-000i-0910000000-42f4c1ced8753a773f9e |
| Source of Spectrum |
B-34-1010-0 |
| Synonyms |
Methyl (13E)-6.alpha.,18-dihydroxycleroda-3,13-dien-15-oate
Methyl (2E)-5-[(1R,2S,4S,4aS,8aS)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methyl-2-pentenoate |
| Wiley ID |
1342138 |
![2-Pentenoic acid, 3-methyl-5-[1,2,3,4,4a,7,8,8a-octahydro-4-hydroxy-5-(hydroxymethyl)-1 ,2,4a-trimethyl-1-naphthalenyl]-, methyl ester, [1R-[1.alpha.(E),2.beta.,4.alpha.,4a.beta.,8a.alpha.]]-](/api/spectrum/DTXR5V3WlxV/structure.png?h=300&w=458 "2-Pentenoic acid, 3-methyl-5-[1,2,3,4,4a,7,8,8a-octahydro-4-hydroxy-5-(hydroxymethyl)-1 ,2,4a-trimethyl-1-naphthalenyl]-, methyl ester, [1R-[1.alpha.(E),2.beta.,4.alpha.,4a.beta.,8a.alpha.]]-")
