Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate
AlkaPlorer ID: AK001105
Synonym: None
IUPAC Name: methyl (1R,15S,17R,18R,19S,20S)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Structure
SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)O
InChI: InChI=1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3/t12-,16+,18-,19-,20+,22+/m1/s1
InChIKey: MDJQWFFIUHUJSB-UQVJXISSSA-N
Reference
Alkaloids of Rauwolfia serpentina Benth. V.<sup>1</sup> Rescinnamine
PubChem CID: 73532
CAS: 2901-66-8
Source
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Properties Information
Molecule Weight: 414.5020000000002
TPSA？: 84.02
MolLogP？: 2.280600000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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