| SpectraBase Spectrum ID |
5BobkrRwG5J |
| Name |
(7R,8S,7'R,8'R)-(+)-7'-Acetylpicropodophyllin |
| Appearance |
White amorphous powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H24O9 |
| InChI |
InChI=1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3/t15-,20+,21+,22-/m0/s1 |
| InChIKey |
SASVNKPCTLROPQ-RGXPITOMSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020042w |
| Molecular Weight |
456.447 g/mol |
| Optical Rotation |
[a]D20 = +44.9 (c = 0.098, MeCN) |
| Reported Formula |
C24H24O9 |
| SMILES |
c12cc3c(cc2OCO1)[C@]([C@]1([C@@]([C@]3(OC(=O)C)[H])(COC1=O)[H])[H])(c1cc(c(c(c1)OC)OC)OC)[H] |
| SPLASH |
splash10-0a4j-9608700000-ed307c03d1dca3a1f943 |
| Source of Spectrum |
G4-65-1067-2 |
| Wiley ID |
1883780 |
