Molecule

10-OH-Aconitine

AlkaPlorer ID: AK000073

Synonym: None

IUPAC Name: [(1R,2S,3S,4R,5R,6S,7S,8S,9R,10S,13R,14R,16S,17R,18R)-8-acetyloxy-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Structure

SMILES: CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@@H]31)[C@@]5([C@@H]6[C@]4(C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC(=O)C)OC)OC)O)COC

InChI: InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1

InChIKey: GMSKTJVHWUUOMY-AXSJTNMKSA-N

Reference

Study on the Alkaloids in Tibetan MedicineAconitum pendulumBusch by HPLC–MSnCombined with Column Chromatography

PubChem CID: 124867437

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aconitum carmichaelii	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 661.7450000000001

TPSA？: 173.67999999999998

MolLogP？: -0.23699999999999566

Number of H-Donors: 4

Number of H-Acceptors: 13

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi