Phorbol 12,13-dibutyrate

CAS Registry Number®

37558-16-0
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CAS Name

Phorbol 12,13-dibutyrate

Molecular Formula

C28H40O8

Molecular Mass

504.61

Cite this Page

Phorbol 12,13-dibutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=37558-16-0 (retrieved 2024-04-27) (CAS RN: 37558-16-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1

InChIKey

InChIKey=BQJRUJTZSGYBEZ-YVQNUNKESA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl ester
  • Butanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl ester, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-
  • 9aH-Cyclopropa[3,4]benz[1,2-e]azulene, butanoic acid deriv.
  • Phorbol 12,13-dibutyrate
  • 4β-Phorbol 12,13-dibutyrate

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Deleted or Replaced CAS Registry Numbers

101063-12-1, 61557-88-8

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