Phorbol 12,13-dihexanoate

CAS Registry Number®

37558-17-1

CAS Name

Phorbol 12,13-dihexanoate

Molecular Formula

C32H48O8

Molecular Mass

560.72

Cite this Page

Phorbol 12,13-dihexanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37558-17-1 (retrieved 2024-11-22) (CAS RN: 37558-17-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H48O8/c1-7-9-11-13-24(34)39-28-20(4)31(38)22(16-21(18-33)17-30(37)23(31)15-19(3)27(30)36)26-29(5,6)32(26,28)40-25(35)14-12-10-8-2/h15-16,20,22-23,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,22+,23-,26-,28-,30-,31-,32-/m1/s1

InChIKey

InChIKey=XGPRSRGBAHBMAF-NQWCLMGHSA-N

SMILES

O(C(CCCCC)=O)[C@@]12[C@@](C1(C)C)([C@]3([C@](O)([C@H](C)[C@H]2OC(CCCCC)=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)CCCCC)C4(C)C)CCCCC

Other Names for this Substance

  • Hexanoic acid, 1,1′-[(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
  • Hexanoic 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)]-
  • Hexanoic 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
  • 9aH-Cyclopropa[3,4]benz[1,2-e]azulene, hexanoic acid deriv.
  • Phorbol 12,13-dihexanoate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration