Pentaacetylaconine
Molecular Formula:
C35H51NO14
InChI: InChI=1/C35H51NO14/c1-11-36-14-32(15-42-7)22(46-16(2)37)12-23(43-8)34-21-13-33(49-19(5)40)29(47-17(3)38)24(21)35(50-20(6)41,31(30(33)45-10)48-18(4)39)25(28(34)36)26(44-9)27(32)34/h21-31H,11-15H2,1-10H3/t21-,22?,23?,24-,25u,26?,27-,28-,29?,30+,31?,32u,33-,34u,35-/m1/s1
InChIKey: InChIKey=MCVSISBFKCPEKX-PUJGSVRKBV
SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C)(C(C5OC(=O)C)OC)OC(=O)C)OC(=O)C)OC)OC)OC(=O)C)COC
Names:
Aconine pentaacetate
Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, pentaacetate (ester), (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-, PE
BRN 0076627
Pentaacetylaconine
4-21-00-02900 (Beilstein Handbook Reference)
85031-25-0
Registries:
PubChem CID 55303
PubChem ID 192772
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