(1R,2S,4S,7R,10R,11R)-5-{[(3aR,6S,7aS)-6-hydroxy-1-methyl-3,6,7,7a-tetrahydro-2H-indol-3a-yl]methyl}-13-acetyl-11-methyl-13-azapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadec-5-en-14-one
AlkaPlorer ID: AK262259
Synonym: None
IUPAC Name: (1R,2S,4S,7R,10R,11R)-5-[[(3aR,6S,7aS)-6-hydroxy-1-methyl-3,6,7,7a-tetrahydro-2H-indol-3a-yl]methyl]-13-acetyl-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-5-en-14-one
Structure
SMILES: CC(=O)N1C[C@]2(C)CCC[C@]3(C1=O)[C@@H]2CC[C@@]12C=C(C[C@@]45C=C[C@@H](O)C[C@@H]4N(C)CC5)[C@@H](CC1)C[C@@H]23
InChI: InChI=1S/C31H44N2O3/c1-20(34)33-19-28(2)8-4-9-31(27(33)36)24(28)7-12-29-10-5-21(15-25(29)31)22(17-29)18-30-11-6-23(35)16-26(30)32(3)14-13-30/h6,11,17,21,23-26,35H,4-5,7-10,12-16,18-19H2,1-3H3/t21-,23+,24+,25-,26-,28-,29+,30-,31-/m0/s1
InChIKey: UWZOVPMRUNNYSB-PCTYRMOMSA-N
Reference
Alkaloids of Aconitum coreanum VIII. Structure of coryphidine
PubChem CID: 162845969
LOTUS: LTS0104649
SuperNatural Ⅲ: SN0382356-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum coreanum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 492.7040000000004
TPSA？: 60.85
MolLogP？: 4.705800000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|