harringtonine | CAS No. 62624-24-2

harringtonine

Basic Information

CAS Number

62624-24-2

Molecular Formula

C28H37NO9

Molecular Weight

531.6 g/mol

AD

Basic Physical Properties

COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@H]1[C@H]2C3=CC4=C(OCO4)C=C3CCN3CCC[C@@]23C=C1OC

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

HAVJATCHLFRDHY-CDORBJOZSA-N

LogP

2.190599999999999

Topological Polar Surface Area

123.99000000000002 Ų

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

953

Synonyms & References

English

  • harringtonine
  • Cephalotaxine, 4-methyl-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester)
  • O~3~-[2,5-Dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine
  • 1-O-[(2S,3S)-4-Methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)

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