| SpectraBase Spectrum ID |
Jvw4kBVtiK |
| Name |
methyl 3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-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 |
C25H36O5 |
| InChI |
InChI=1S/C25H36O5/c1-15-12-18(26)13-17(23(15)29)14-25(4)16(2)10-11-24(3)19(6-9-22(28)30-5)20(27)7-8-21(24)25/h12-13,16,19,21,26,29H,6-11,14H2,1-5H3/t16-,19+,21-,24-,25-/m0/s1 |
| InChIKey |
UEVJCIDVCOTQFF-HKABWDKLSA-N |
| Instrument Name |
Micromass Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020090g |
| Molecular Weight |
416.558 g/mol |
| Optical Rotation |
[a]D25 = +22.1 (c = 0.07, CHCl3) |
| Reported Formula |
C25H36O5 |
| SMILES |
Oc1cc(c(c(c1)C)O)C[C@]1([C@](CC[C@]2([C@@](C(CC[C@]12[H])=O)(CCC(OC)=O)[H])C)(C)[H])C |
| SPLASH |
splash10-000j-8970000000-738c2c074057aadc763f |
| Source of Spectrum |
G4-65-1729-2 |
| Wiley ID |
1883441 |
![methyl 3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methyl-phenyl)methyl]-5,6,8a-trimethyl-2-oxo-decalin-1-yl]propanoate](/api/spectrum/Jvw4kBVtiK/structure.png?h=300&w=458 "methyl 3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methyl-phenyl)methyl]-5,6,8a-trimethyl-2-oxo-decalin-1-yl]propanoate")
