Chasmanine

CAS Registry Number®

5066-78-4
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CAS Name

Chasmanine

Molecular Formula

C25H41NO6

Molecular Mass

451.60

Cite this Page

Chasmanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5066-78-4 (retrieved 2024-09-19) (CAS RN: 5066-78-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    90-91 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1

InChIKey

InChIKey=DBODJJZRZFZBBD-XXYWQWTJSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(O)[C@@]6([C@]3(C[C@@]([C@@H]6O)([C@@H](OC)C5)[H])[H])[H])[H])[H])CC1)[H]

Canonical SMILES

OC1C2CC3C1C(O)(CC2OC)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6

Other Names for this Substance

  • Aconitane-8,14-diol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,6α,14α,16β)-
  • Chasmanine
  • (1α,6α,14α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol
  • Toroko Base II
  • Chasmanin

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Deleted or Replaced CAS Registry Numbers

38146-47-3