CAS Registry Number®
107668-79-1
CAS Name
Bulleyaconitine A
Molecular Formula
C35H49NO9
Molecular Mass
627.76
Other Names and Identifiers
InChI
InChI=1S/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3
InChIKey
InChIKey=YRECILNLFWZVRM-UHFFFAOYSA-N
SMILES
O(C)C1C23C4C(COC)(CN(CC)C2C(C4OC)C5(OC(C)=O)C6C3CC(O)(C6C(=O)C7=CC=C(OC)C=C7)C(OC)C5)CC1
Canonical SMILES
O=C(OC12CC(OC)C3(O)CC(C1C3C(=O)C4=CC=C(OC)C=C4)C56C(OC)CCC7(COC)CN(CC)C6C2C(OC)C75)C
Other Names for this Substance
- Methanone, [(1α,6α,14α,16β)-8-(acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl) aconitan-14-yl](4-methoxyphenyl)-
- 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, methanone deriv.
- Aconitane, methanone deriv.
- [(1α,6α,14α,16β)-8-(Acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl) aconitan-14-yl](4-methoxyphenyl)methanone
- Bulleyaconitine A
