| SpectraBase Spectrum ID |
LaqU8U0xLpb |
| Name |
methyl 3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methyl-phenyl)methyl]-2-isopropylidene-5,6,8a-trimethyl-decalin-1-yl]propanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H42O4 |
| InChI |
InChI=1S/C28H42O4/c1-17(2)22-8-10-24-27(5,23(22)9-11-25(30)32-7)13-12-19(4)28(24,6)16-20-15-21(29)14-18(3)26(20)31/h14-15,19,23-24,29,31H,8-13,16H2,1-7H3/t19-,23+,24-,27-,28-/m0/s1 |
| InChIKey |
WEOSAKSJMIITOA-ABYCQCASSA-N |
| Instrument Name |
Micromass Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020090g |
| Molecular Weight |
442.640 g/mol |
| Optical Rotation |
[a]D25 = +52.1 (c = 0.05, CHCl3) |
| Reported Formula |
C28H42O4 |
| SMILES |
Oc1cc(c(c(c1)C)O)C[C@]1([C@](CC[C@]2([C@@](C(CC[C@]12[H])=C(C)C)(CCC(OC)=O)[H])C)(C)[H])C |
| SPLASH |
splash10-0a4r-0709100000-75e0fe53454c6ea669ea |
| Source of Spectrum |
G4-65-1729-3 |
| Wiley ID |
1883442 |
![methyl 3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methyl-phenyl)methyl]-2-isopropylidene-5,6,8a-trimethyl-decalin-1-yl]propanoate](/api/spectrum/LaqU8U0xLpb/structure.png?h=300&w=458 "methyl 3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methyl-phenyl)methyl]-2-isopropylidene-5,6,8a-trimethyl-decalin-1-yl]propanoate")
