| SpectraBase Spectrum ID |
JnIgk2ONOUI |
| Name |
[(3R,5S,8R,9S,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-1,12-dioxo-3,5,6,7,9,11,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3-yl] acetate |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H42O6 |
| InChI |
InChI=1S/C29H42O6/c1-16(30)34-22-15-21(32)29(7)19(25(22,2)3)9-12-26(4)20(29)14-18(31)24-17(8-11-27(24,26)5)28(6)13-10-23(33)35-28/h17,19-20,22,24H,8-15H2,1-7H3/t17-,19-,20-,22+,24-,26+,27+,28-,29-/m0/s1 |
| InChIKey |
GQTLJUKOKYTNEF-MVODYLOTSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030273i |
| Molecular Weight |
486.649 g/mol |
| Optical Rotation |
[a]D25 = -67.2 (c = 0.040, CHCl3) |
| SMILES |
C1C([C@]2([C@](C([C@@]1(OC(C)=O)[H])(C)C)(CC[C@@]1([C@@]2(CC([C@]2([C@]1(CC[C@@]2([C@]1(OC(CC1)=O)C)[H])C)[H])=O)[H])C)[H])C)=O |
| SPLASH |
splash10-03di-4349700000-1cb7e3f1f264d77c41a3 |
| Source of Spectrum |
G4-66-1591-5 |
| Thin-Layer Chromatography |
Rf = 0.45 (EtOAc/hexane, 1:1) |
| Wiley ID |
1883944 |
![[(3R,5S,8R,9S,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-1,12-dioxo-3,5,6,7,9,11,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3-yl] acetate](/api/spectrum/JnIgk2ONOUI/structure.png?h=300&w=458 "[(3R,5S,8R,9S,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-1,12-dioxo-3,5,6,7,9,11,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3-yl] acetate")
