Phorbol 12,13,20-triacetate

CAS Registry Number®

19891-05-5
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CAS Name

Phorbol 12,13,20-triacetate

Molecular Formula

C26H34O9

Molecular Mass

490.54

Cite this Page

Phorbol 12,13,20-triacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=19891-05-5 (retrieved 2024-05-11) (CAS RN: 19891-05-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    128-129 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H34O9/c1-12-8-19-24(31,21(12)30)10-17(11-33-14(3)27)9-18-20-23(6,7)26(20,35-16(5)29)22(34-15(4)28)13(2)25(18,19)32/h8-9,13,18-20,22,31-32H,10-11H2,1-7H3/t13-,18+,19-,20-,22-,24-,25-,26-/m1/s1

InChIKey

InChIKey=LASMKIAVFGUYEG-SEYWVDNQSA-N

SMILES

O(C(C)=O)[C@@]12[C@@](C1(C)C)([C@]3([C@](O)([C@H](C)[C@H]2OC(C)=O)[C@]4([C@](O)(CC(COC(C)=O)=C3)C(=O)C(C)=C4)[H])[H])[H]

Canonical SMILES

O=C(OCC1=CC2C3C(OC(=O)C)(C(OC(=O)C)C(C)C2(O)C4C=C(C(=O)C4(O)C1)C)C3(C)C)C

Other Names for this Substance

  • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(acetyloxy)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R)-
  • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-, 3,9,9a-triacetate, (+)-
  • Phorbol, triacetate
  • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(acetyloxy)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-
  • (1aR,1bS,4aR,7aS,7bS,8R,9R)-9,9a-Bis(acetyloxy)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one

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