| SpectraBase Spectrum ID |
HBuDSvQ8RSm |
| Name |
[(1R,3R,5S,8R,9S,10R,12R,13R,14R,17S)-1,3-diacetoxy-17-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H58O8 |
| InChI |
InChI=1S/C36H58O8/c1-20(37)41-24-18-26-33(8,34(9)15-12-23(30(24)34)35(10)17-14-27(44-35)32(6,7)40)16-13-25-31(4,5)28(42-21(2)38)19-29(36(25,26)11)43-22(3)39/h23-30,40H,12-19H2,1-11H3/t23-,24+,25-,26-,27+,28+,29+,30-,33+,34+,35-,36-/m0/s1 |
| InChIKey |
JELZYHLFEQZWEE-RZQGPSGGSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030273i |
| Molecular Weight |
618.852 g/mol |
| Optical Rotation |
[a]D22 = -7.02 (c = 0.035, CHCl3) |
| SMILES |
OC(C)(C)[C@@]1(O[C@]([C@@]2([C@]3([C@@](C[C@@]4([C@]5([C@@](C[C@](C([C@@]5(CC[C@]4([C@@]3(CC2)C)C)[H])(C)C)(OC(C)=O)[H])(OC(C)=O)[H])C)[H])(OC(C)=O)[H])[H])[H])(CC1)C)[H] |
| SPLASH |
splash10-055f-2966210000-e3d08be048075d12f483 |
| Source of Spectrum |
G4-66-1591-6 |
| Wiley ID |
1883945 |
![[(1R,3R,5S,8R,9S,10R,12R,13R,14R,17S)-1,3-diacetoxy-17-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate](/api/spectrum/HBuDSvQ8RSm/structure.png?h=300&w=458 "[(1R,3R,5S,8R,9S,10R,12R,13R,14R,17S)-1,3-diacetoxy-17-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate")
