Chasmaconitine
AlkaPlorer ID: AK000028
Synonym: None
IUPAC Name: [(2R,3R,4R,5S,6S,8R,13S,17R)-8-acetyloxy-11-ethyl-5-hydroxy-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(CCC(C34[C@@H]2C(C(C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)OC(=O)C)OC)OC)COC
InChI: InChI=1S/C34H47NO9/c1-7-35-17-31(18-39-3)14-13-22(40-4)34-21-15-32(38)23(41-5)16-33(44-19(2)36,25(28(34)35)26(42-6)27(31)34)24(21)29(32)43-30(37)20-11-9-8-10-12-20/h8-12,21-29,38H,7,13-18H2,1-6H3/t21-,22?,23+,24-,25?,26?,27-,28?,29-,31+,32+,33-,34?/m1/s1
InChIKey: SENAVQJHBYGFIW-PXVKFMPLSA-N
Reference
Studies on the aconitine-type alkaloids in the roots of Aconitum Carmichaeli Debx. by HPLC/ESIMS/MSn
PubChem CID: 122361873
Source
Properties Information
Molecule Weight: 613.7480000000002
TPSA？: 112.99000000000002
MolLogP？: 2.706500000000001
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 7
Activities Information
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