Nudicauline

CAS Registry Number®

99815-83-5

CAS Name

Nudicauline

Molecular Formula

C38H50N2O11

Molecular Mass

710.81

Cite this Page

Nudicauline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99815-83-5 (retrieved 2024-11-25) (CAS RN: 99815-83-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23+,25-,26-,28+,29-,30+,31-,34-,35-,36+,37-,38+/m0/s1

InChIKey

InChIKey=IPWQJEONCUFCOR-RYCHYCMYSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC(=O)C5=C(C=CC=C5)N6C(=O)C[C@H](C)C6=O)(CN(CC)[C@@]2([C@](O)([C@H]4OC)[C@]7(O)[C@@]8([C@]3(C[C@@]([C@@H]8OC(C)=O)([C@@H](OC)C7)[H])[H])[H])[H])CC1)[H]

Canonical SMILES

O=C(OCC12CN(CC)C3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5C6OC(=O)C)C=7C=CC=CC7N8C(=O)CC(C8=O)C

Other Names for this Substance

  • Aconitane-7,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]-, 14-acetate, (1α,6β,14α,16β)-
  • Aconitane-7,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-[[[2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-, 14-acetate, [1α,4(S),6β,14α,16β]-
  • Nudicauline
  • O14-Demethylmethyllycaconitine 14-acetate
  • Andersoline

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