Flaconitine
Molecular Formula:
C36H49NO12
InChI: InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22?,23?,24-,25u,26?,27-,28-,29?,30?,31+,33u,34-,35u,36-/m1/s1
InChIKey: InChIKey=RIPYIJVYDYCPKW-HJARRJPKBC
SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)OC(=O)C)COC
Names:
Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3,8-diacetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-
Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 14-benzoate 3,8-diacetate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
ACONITANE-3,8,13,14,15-PENTOL, 20-ETHYL-4-(METHOXYMETHYL)-1,6,16-TRIMETHOXY-, 14
Aconitine 3-acetate
Aconitine 3-monoacetate
Flaconitine
3-Acetylaconitine
77181-26-1
78600-25-6
Registries:
PubChem CID 53595
PubChem ID 191422
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