Condelphine

CAS Registry Number®

7633-69-4
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CAS Name

Condelphine

Molecular Formula

C25H39NO6

Molecular Mass

449.58

Cite this Page

Condelphine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=7633-69-4 (retrieved 2024-05-01) (CAS RN: 7633-69-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154-156 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24+,25-/m1/s1

InChIKey

InChIKey=ZEBMMHUDQRRILP-YNLINXDKSA-N

SMILES

O[C@@H]1[C@]23[C@]4([C@]5([C@@](O)([C@@]6([C@]2(N(CC)C[C@@](COC)([C@]3(C6)[H])CC1)[H])[H])C[C@H](OC)[C@@](C4)([C@@H]5OC(C)=O)[H])[H])[H]

Canonical SMILES

O=C(OC1C2CC3C1C(O)(CC2OC)C4CC5C6(COC)CN(CC)C4C35C(O)CC6)C

Other Names for this Substance

  • Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, 14-acetate, (1α,14α,16β)-
  • Condelphine
  • Kondelfin
  • Coldephnine

Deleted or Replaced CAS Registry Numbers

29570-42-1, 915023-78-8

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