JESACONITINE
Molecular Formula:
C35H49NO12
InChI: InChI=1/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20u,21?,22?,23u,24u,25?,26?,27-,28+,29?,30-,32u,33?,34u,35?/m1/s1
InChIKey: InChIKey=MGTJNQWIXFSPLC-ZWQIMPSBBA
SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=C(C=C7)OC)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
Names:
Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-(4-methoxybenzoate), (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
BRN 0075405
Diesaconitine
JESACONITINE
16298-90-1
4-21-00-02903 (Beilstein Handbook Reference)
Registries:
PubChem CID 27806
PubChem ID 170345
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