(1R,2S,3S,5R,8R,9S,10R,11S,14R,16S,17R,18R,19S)-2,19-bis(acetyloxy)-10-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl benzoate
AlkaPlorer ID: AK461939
Synonym: None
IUPAC Name: (2,19-diacetyloxy-10-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl) benzoate
Structure
SMILES: C=C1CC23CC4C5C6(C)CC(OC(=O)C7=CC=CC=C7)C(OC(C)=O)C57C(C2C(O)C1C(OC(C)=O)C37)N4C6
InChI: InChI=1S/C31H35NO7/c1-14-10-30-11-18-24-29(4)12-19(39-28(36)17-8-6-5-7-9-17)27(38-16(3)34)31(24)25(30)23(37-15(2)33)20(14)22(35)21(30)26(31)32(18)13-29/h5-9,18-27,35H,1,10-13H2,2-4H3
InChIKey: MXDMNWAHROTMFX-UHFFFAOYSA-N
Reference
Alkaloids of Aconitum firmum and A. tokii
PubChem CID: 73816191
CAS: 11087-94-8
LOTUS: LTS0053103
COCONUT: CNP0143347.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum seravschanicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 533.6210000000001
TPSA？: 102.37
MolLogP？: 2.741100000000001
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|