input word = C00003466

Metabolite InformationStructural formula
Name Phorbol 12-tiglate 13-decanoate
Formula C35H52O8
Mw 600.36621864
CAS RN 59086-92-9
C_ID C00003466 ,
InChIKey QWYNFKKVBDGBLL-HLSXRVBWNA-N
InChICode InChI=1S/C35H52O8/c1-8-10-11-12-13-14-15-16-27(37)43-35-28(32(35,6)7)25-18-24(20-36)19-33(40)26(17-22(4)29(33)38)34(25,41)23(5)30(35)42-31(39)21(3)9-2/h9,17-18,23,25-26,28,30,36,40-41H,8,10-16,19-20H2,1-7H3/b21-9+/t23-,25-,26-,28-,30-,33-,34+,35-/m1/s1
SMILES [C@@H]12[C@](CC(=C[C@H]3[C@]1([C@@H]([C@H]([C@@]1([C@H]3C1(C)C)OC(=O)CCCCCCCCC)OC(=O)/C(=C/C)/C)C)O)CO)(C(=O)C(=C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton tiglium Ref.
zoom in



OrganismCroton tiglium
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52