| SpectraBase Spectrum ID |
EvHH9rgS5yk |
| Name |
Heliotropamide |
| Appearance |
Amorphous powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H36N2O8 |
| InChI |
InChI=1S/C36H36N2O8/c1-45-31-20-24(7-13-29(31)41)19-28-33(35(43)37-17-15-22-3-9-26(39)10-4-22)34(25-8-14-30(42)32(21-25)46-2)38(36(28)44)18-16-23-5-11-27(40)12-6-23/h3-14,19-21,33-34,39-42H,15-18H2,1-2H3,(H,37,43)/t33-,34+/m0/s1 |
| InChIKey |
VNFIQMCRAYEPSY-SZAHLOSFSA-N |
| Instrument Name |
Finnigan MAT TSQ-700 triple-stage quadrupole |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0302495 |
| Molecular Weight |
624.690 g/mol |
| Optical Rotation |
[a]D21 = +14 (c = 0.01, MeOH) |
| SMILES |
N(C([C@@]1([C@](N(CCc2ccc(cc2)O)C(C1=Cc1ccc(c(c1)OC)O)=O)(c1cc(c(cc1)O)OC)[H])[H])=O)CCc1ccc(cc1)O |
| SPLASH |
splash10-0a4r-0900101000-2c125c677d1340efe83f |
| Source of Spectrum |
G4-66-1552-1 |
| Wiley ID |
1883941 |
