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Substance Name: Phorbol
RN: 17673-25-5
UNII: XUZ76S9127
InChIKey: QGVLYPPODPLXMB-UBTYZVCOSA-N

Classification Codes

  • Mutation Data
  • Natural Product
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C20-H28-O6

Molecular Weight

  • 364.4352
 
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Names and Synonyms

Name of Substance

  • Phorbol

Synonyms

  • 1,1a,1b,4,4a,7a,7b,8,9,9a-Decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • 4,9,12-beta,13,20-Pentahydroxy-1,6-tigliadien-3-on
  • 4-beta-Phorbol
  • 4beta-Phorbol
  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,6,8-tetramethyl-, (1aR-(1aalpha,1beta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-4abeta,7balpha,9beta,9a alpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8alpha-tetramethyl-, (+)-
  • CCRIS 694
  • HSDB 4328
  • NSC 154778
  • Phorbol
  • UNII-XUZ76S9127

Systematic Names

  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-
  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-
  • Phorbol

Registry Numbers

CAS Registry Number

  • 17673-25-5

FDA UNII

  • XUZ76S9127

Other Registry Number

  • 110675-79-1

System Generated Number

  • 0017673255

Structure Descriptors

InChI

1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1

InChIKey

QGVLYPPODPLXMB-UBTYZVCOSA-N

Smiles

C[C@@H]1[C@@H](O)[C@]2(O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 249 dec deg C   EXP
log P (octanol-water) -0.540 (none)   EST
Atmospheric OH Rate Constant 2.06E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.