| SpectraBase Spectrum ID |
7OX2PVn2NiP |
| Name |
7.beta.-Hydroxy-6.beta.-(3,4,5-trimethoxybenzoyloxy)-3.alpha.-(E)-(3,4,5-trimethoxycinnamoyloxy)tropane |
| Appearance |
White amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H37NO11 |
| InChI |
InChI=1S/C30H37NO11/c1-31-19-14-18(41-25(32)9-8-16-10-21(35-2)28(39-6)22(11-16)36-3)15-20(31)27(26(19)33)42-30(34)17-12-23(37-4)29(40-7)24(13-17)38-5/h8-13,18-20,26-27,33H,14-15H2,1-7H3/b9-8+/t18-,19-,20+,26-,27+/m0/s1 |
| InChIKey |
KOHAOVSIVQWVAQ-PIDWFFPOSA-N |
| Instrument Name |
Finnigan MAT-90 or VG 7070-HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0104774 |
| Molecular Weight |
587.622 g/mol |
| Optical Rotation |
[a]D = +9.0 (c = 0.10, CHCl3) |
| Reported Formula |
C30H37NO11 |
| SMILES |
O[C@@]1([C@@]([C@]2(C[C@](C[C@@]1(N2C)[H])(OC(\C=C\c1cc(c(c(c1)OC)OC)OC)=O)[H])[H])(OC(c1cc(c(c(c1)OC)OC)OC)=O)[H])[H] |
| SPLASH |
splash10-000i-0931000000-24faf5bcbfd31dea2549 |
| Source of Spectrum |
G4-65-609-1 |
| Wiley ID |
1881104 |
