Yunaconitine

CAS Registry Number®

70578-24-4

CAS Name

Yunaconitine

Molecular Formula

C35H49NO11

Molecular Mass

659.76

Cite this Page

Yunaconitine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70578-24-4 (retrieved 2024-11-23) (CAS RN: 70578-24-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142-144 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1

InChIKey

InChIKey=LLEMSCWAKNQHHA-IWXJPZPUSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(OC(C)=O)[C@@]6([C@]3(C[C@@](O)([C@@H]6OC(=O)C7=CC=C(OC)C=C7)[C@@H](OC)C5)[H])[H])[H])[H])[C@H](O)C1)[H]

Canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)CC2(OC(=O)C)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6O)C7=CC=C(OC)C=C7

Other Names for this Substance

  • Aconitane-3,8,13,14-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-(4-methoxybenzoate), (1α,3α,6α,14α,16β)-
  • Vilmorrianine B
  • Isoaconitine
  • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14-tetrol deriv.
  • Yunaconitine

View All

Deleted or Replaced CAS Registry Numbers

97856-17-2, 1357-88-6

CAS INSIGHTSTM
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