CAS Registry Number®
32854-75-4
CAS Name
Lappaconitine
Molecular Formula
C32H44N2O8
Molecular Mass
584.70
Compound Properties
-
Melting Point (1)
226-227 °C
Source(s)
- (1) Jermstad, Axel; Pharmaceutica Acta Helvetiae, (1951), 26, 33-47, CAplus
Other Names and Identifiers
InChI
InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31+,32+/m1/s1
InChIKey
InChIKey=NWBWCXBPKTTZNQ-QOQRDJBUSA-N
SMILES
O(C)[C@@H]1[C@@]23[C@]4([C@](OC(=O)C5=C(NC(C)=O)C=CC=C5)(CN(CC)[C@@]2([C@](C4)([C@]6(O)[C@]7(O)[C@]3(C[C@@]([C@@H]7OC)([C@@H](OC)C6)[H])[H])[H])[H])CC1)[H]
Canonical SMILES
O=C(OC12CN(CC)C3C4CC1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5(O)C6OC)C=7C=CC=CC7NC(=O)C
Other Names for this Substance
- Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-[2-(acetylamino)benzoate], (1α,14α,16β)-
- Lappaconitine
- 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-4,8,9-triol deriv.
- (+)-Lappaconitine
- Acetyl-10-deoxysepaconitine
- Lappacontine
Deleted or Replaced CAS Registry Numbers
1358-87-8, 30373-78-5, 1103572-03-7, 1435973-51-5, 1582040-40-1, 1657738-31-2, 1825388-42-8
