SpectraBase Compound ID | HvvipnEXVHG |
---|---|
InChI | InChI=1S/C22H28N2O4/c1-27-13-4-5-17-16(9-13)14-7-8-24-11-12-3-6-19(25)20(22(26)28-2)15(12)10-18(24)21(14)23-17/h4-5,9,12,15,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,15+,18+,19+,20+/m1/s1 |
InChIKey | NXFSMEXZBFREEO-RIEIWWSGSA-N |
Mol Weight | 384.48 g/mol |
Molecular Formula | C22H28N2O4 |
Exact Mass | 384.204907 g/mol |
SpectraBase Spectrum ID | InHkQfkCB6I |
---|---|
Name | 10-Methoxy-[.alpha.-yohimbine] |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C22H28N2O4 |
InChI | InChI=1S/C22H28N2O4/c1-27-13-4-5-17-16(9-13)14-7-8-24-11-12-3-6-19(25)20(22(26)28-2)15(12)10-18(24)21(14)23-17/h4-5,9,12,15,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,15+,18+,19+,20+/m1/s1 |
InChIKey | NXFSMEXZBFREEO-RIEIWWSGSA-N |
Molecular Weight | 384.476 g/mol |
SMILES | [nH]1c2ccc(cc2c2c1[C@@]1(C[C@@]3([C@@]([C@](CC[C@@]3(CN1CC2)[H])(O)[H])(C(=O)OC)[H])[H])[H])OC |
SPLASH | splash10-001i-0119000000-1ceda33b5037e8ccea61 |
Source of Spectrum | X2-46-720-36 |
Wiley ID | 1601240 |