[(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-4,8-dihydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-acetamidobenzoate
AlkaPlorer ID: AK026806
Synonym: None
IUPAC Name: [(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-4,8-dihydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate
Structure
SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N=C(C)O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14
InChI: InChI=1S/C32H44N2O7/c1-5-34-15-30(16-41-29(37)18-8-6-7-9-22(18)33-17(2)35)11-10-25(40-4)32-20-12-19-23(39-3)14-31(38,26(20)27(19)36)21(28(32)34)13-24(30)32/h6-9,19-21,23-28,36,38H,5,10-16H2,1-4H3,(H,33,35)/t19-,20-,21+,23+,24-,25+,26-,27+,28-,30+,31+,32-/m1/s1
InChIKey: BTJGSIVUSIUKPV-DNZCMCMLSA-N
Reference
Diterpenoid alkaloids from Aconitum talassicum
PubChem CID: 101596811
LOTUS: LTS0089717
SuperNatural Ⅲ: SN0034904-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum orientale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 568.7110000000002
TPSA？: 121.05
MolLogP？: 3.349700000000002
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|