14-Deacetylnudicauline

CAS Registry Number®

119347-24-9

CAS Name

14-Deacetylnudicauline

Molecular Formula

C36H48N2O10

Molecular Mass

668.77

Cite this Page

14-Deacetylnudicauline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119347-24-9 (retrieved 2024-11-04) (CAS RN: 119347-24-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1

InChIKey

InChIKey=GFWYSOWSJXKFFQ-IPVNYRSLSA-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]8O)([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(O)C5C4(O)CC6OC)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]-, (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]-, [1α,4(S),6β,14α,16β]-
  • (1α,6β,14α,16β)-20-Ethyl-1,6,16-trimethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]aconitane-7,8,14-triol
  • 14-Deacetylnudicauline
  • 14-Deacetylandersoline

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CAS INSIGHTSTM
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