Harringtonine

CAS Registry Number®

26833-85-2

CAS Name

Harringtonine

Molecular Formula

C28H37NO9

Molecular Mass

531.59

Cite this Page

Harringtonine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25302-09-4 (retrieved 2024-11-24) (CAS RN: 26833-85-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    68-69 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28-/m1/s1

InChIKey

InChIKey=HAVJATCHLFRDHY-KSZYUSJVSA-N

SMILES

O(C([C@@](CCC(C)(C)O)(CC(OC)=O)O)=O)[C@H]1[C@@]2([C@@]3(N(CCC=4C2=CC5=C(C4)OCO5)CCC3)C=C1OC)[H]

Canonical SMILES

O=C(OC)CC(O)(C(=O)OC1C(OC)=CC23N(CCC4=CC=5OCOC5C=C4C12)CCC3)CCC(O)(C)C

Other Names for this Substance

  • Cephalotaxine, 3-[4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate]
  • Harringtonine
  • Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), [3(R)]-
  • Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester)
  • 4H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine, cephalotaxine deriv.

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Deleted or Replaced CAS Registry Numbers

25302-09-4, 88455-80-5

CAS INSIGHTSTM
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