8-(acetyloxy)-2,5,7-trihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-4-yl benzoate
AlkaPlorer ID: AK325432
Synonym: None
IUPAC Name: [(1R,2S,3S,4R,5R,6S,7S,8S,9R,10R,13S,17R,18R)-8-acetyloxy-2,5,7-trihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Structure
SMILES: COC[C@]12CCC[C@]34[C@H](NC1)[C@H]([C@H](OC)[C@H]23)[C@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@](O)(C[C@]24O)[C@@H](OC)[C@@H]1O
InChI: InChI=1S/C31H41NO10/c1-16(33)42-31-18-19(39-3)20-27(15-38-2)11-8-12-28(20,22(18)32-14-27)30(37)13-29(36,25(40-4)23(31)34)24(21(30)31)41-26(35)17-9-6-5-7-10-17/h5-7,9-10,18-25,32,34,36-37H,8,11-15H2,1-4H3/t18-,19-,20+,21-,22+,23-,24+,25-,27-,28+,29+,30-,31-/m0/s1
InChIKey: ORHDQVNYZXBIHU-DKZHOWHKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum polyschistum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 587.6660000000004
TPSA？: 153.01
MolLogP？: 0.4350000000000026
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|