4Alpha-Phorbol 12,13-didecanoate

Product Specifications

CAS Number

27536-56-7

Synonyms

4α-PDD

Hazard Statement

Fatal if swallowed; UN number: UN2811; Packing Group: I

Smiles

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

Molecular Formula

C40H64O8

Molecular Weight

672.93

InChI

InChI=1S/C40H64O8/c1-7-9-11-13-15-17-19-21-32(42)47-36-28(4)39(46)30(24-29(26-41)25-38(45)31(39)23-27(3)35(38)44)34-37(5,6)40(34,36)48-33(43)22-20-18-16-14-12-10-8-2/h23-24,28,30-31,34,36,41,45-46H,7-22,25-26H2,1-6H3/t28-,30+,31-,34-,36-,38+,39-,40-/m1/s1

Additionnal Information

IUPAC name: (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl bis(decanoate)