CAS Registry Number®
63238-67-5
CAS Name
Benzoylmesaconine
Molecular Formula
C31H43NO10
Molecular Mass
589.67
Other Names and Identifiers
InChI
InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23-,24+,25-,26+,28+,29-,30+,31-/m1/s1
InChIKey
InChIKey=PULWZCUZNRVAHT-LOCDBSKESA-N
SMILES
O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(C)[C@@]2([C@]([C@@H]4OC)([C@]5(O)[C@@]6([C@]3(C[C@@](O)([C@@H]6OC(=O)C7=CC=CC=C7)[C@@H](OC)[C@@H]5O)[H])[H])[H])[H])[C@H](O)C1)[H]
Canonical SMILES
O=C(OC1C2C3CC1(O)C(OC)C(O)C2(O)C4C(OC)C5C6(COC)CN(C)C4C35C(OC)CC6O)C=7C=CC=CC7
Other Names for this Substance
- Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-
- 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.
- Benzoylmesaconine
- Mesaconine 14-benzoate
- 14-O-Benzoylmesaconine
- 8-Deacetylmesaconitine
- O8-Deacetylmesaconitine
