| SpectraBase Spectrum ID |
FkKaHe99oXc |
| Name |
Methyl 13.alpha.-ethoxy-7.alpha.-hydroxyabiet-8(14)-enoate, Methyl[1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,9.alpha.,10a.alpha.)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-ethoxy-9-hydroxy-1,4a-dimethyl-7-(1-methylethyl)phenanthrene-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H38O4 |
| InChI |
InChI=1S/C23H38O4/c1-7-27-23(15(2)3)12-9-17-16(14-23)18(24)13-19-21(17,4)10-8-11-22(19,5)20(25)26-6/h14-15,17-19,24H,7-13H2,1-6H3/t17-,18+,19+,21+,22+,23-/m0/s1 |
| InChIKey |
XEKFBYAXMLUPDU-PEGGBQQISA-N |
| Instrument Name |
Varian MAT 711 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010656l |
| Molecular Weight |
378.553 g/mol |
| Optical Rotation |
[a]D24 = -33.9 (c = 0.049, CH2Cl2) |
| SMILES |
O[C@@]1(C[C@@]2([C@](CCC[C@@]2(C)C(OC)=O)([C@@]2(C1=C[C@@](CC2)(C(C)C)OCC)[H])C)[H])[H] |
| SPLASH |
splash10-000i-1129000000-26cff1b8628db6d89153 |
| Source of Spectrum |
G4-65-1533-3b |
| Wiley ID |
1880999 |
![Methyl 13.alpha.-ethoxy-7.alpha.-hydroxyabiet-8(14)-enoate, Methyl[1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,9.alpha.,10a.alpha.)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-ethoxy-9-hydroxy-1,4a-dimethyl-7-(1-methylethyl)phenanthrene-1-carboxylate](/api/spectrum/FkKaHe99oXc/structure.png?h=300&w=458 "Methyl 13.alpha.-ethoxy-7.alpha.-hydroxyabiet-8(14)-enoate, Methyl[1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,9.alpha.,10a.alpha.)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-ethoxy-9-hydroxy-1,4a-dimethyl-7-(1-methylethyl)phenanthrene-1-carboxylate")
