Phorbol 12-myristate

CAS Registry Number®

20839-06-9

CAS Name

Phorbol 12-myristate

Molecular Formula

C34H54O7

Molecular Mass

574.79

Cite this Page

Phorbol 12-myristate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20839-06-9 (retrieved 2024-12-19) (CAS RN: 20839-06-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H54O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)41-30-23(3)33(39)25(28-31(4,5)34(28,30)40)19-24(21-35)20-32(38)26(33)18-22(2)29(32)37/h18-19,23,25-26,28,30,35,38-40H,6-17,20-21H2,1-5H3/t23-,25+,26-,28-,30-,32-,33-,34-/m1/s1

InChIKey

InChIKey=XLCISDOVNFLSGO-VONOSFMSSA-N

SMILES

O[C@]12[C@]([C@]3([C@](O)([C@H](C)[C@H]1OC(CCCCCCCCCCCCC)=O)[C@]4([C@](O)(CC(CO)=C3)C(=O)C(C)=C4)[H])[H])(C2(C)C)[H]

Canonical SMILES

O=C(OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(=CC32)C)C4C1(O)C4(C)C)CCCCCCCCCCCCC

Other Names for this Substance

  • Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester
  • Myristic acid, 9-ester with 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one
  • Tetradecanoic acid, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-
  • 1H-Cyclopropa[3,4]benz[1,2-e]azulene, tetradecanoic acid deriv.
  • Phorbol (12)-tetradecanoate

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Deleted or Replaced CAS Registry Numbers

32752-30-0

CAS INSIGHTSTM
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