| SpectraBase Spectrum ID |
Ea033meAdKB |
| Name |
methyl 3-[(1S,4aR,5S,6S,8aR)-5-[(2-hydroxy-5-methoxy-3-methyl-phenyl)methyl]-5,6,8a-trimethyl-2-oxo-decalin-1-yl]propanoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H38O5 |
| InChI |
InChI=1S/C26H38O5/c1-16-13-19(30-5)14-18(24(16)29)15-26(4)17(2)11-12-25(3)20(7-10-23(28)31-6)21(27)8-9-22(25)26/h13-14,17,20,22,29H,7-12,15H2,1-6H3/t17-,20+,22-,25-,26-/m0/s1 |
| InChIKey |
FETYDOGBYTVNQP-HKDOKKGSSA-N |
| Instrument Name |
Micromass Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020090g |
| Molecular Weight |
430.585 g/mol |
| Optical Rotation |
[a]D25 = +7.5 (c = 0.13, CHCl3) |
| Reported Formula |
C26H38O5 |
| SMILES |
Oc1c(C[C@]2([C@](CC[C@]3([C@@](C(CC[C@]23[H])=O)(CCC(OC)=O)[H])C)(C)[H])C)cc(cc1C)OC |
| SPLASH |
splash10-0udj-0950100000-f4d6018c9a329970d542 |
| Source of Spectrum |
G4-65-1729-1 |
| Wiley ID |
1883440 |
![3-[(1S,4aR,5S,6S,8aR)-5-(2-hydroxy-5-methoxy-3-methyl-benzyl)-2-keto-5,6,8a-trimethyl-decalin-1-yl]propionic acid methyl ester](/api/spectrum/Ea033meAdKB/structure.png?h=300&w=458 "3-[(1S,4aR,5S,6S,8aR)-5-(2-hydroxy-5-methoxy-3-methyl-benzyl)-2-keto-5,6,8a-trimethyl-decalin-1-yl]propionic acid methyl ester")
