(Q27138161)

12-Deoxyphorbol 13-palmitate (English)

[(1R,2R,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₈O₆

1 reference

12-Deoxyphorbol 13-palmitate (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C

1 reference

12-Deoxyphorbol 13-palmitate (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C

1 reference

12-Deoxyphorbol 13-palmitate (English)

7 October 2016

found in taxon

Euphorbia fischeriana

3 references

Diterpenoids from Euphorbia fischeriana

Diterpenoids from the roots of Euphorbia fischeriana

Diterpenoids from the roots of Euphorbia fischeriana

Euphorbia fischeri

3 references

Diterpenoids from Euphorbia fischeriana

Diterpenoids from the roots of Euphorbia fischeriana

Diterpenoids from the roots of Euphorbia fischeriana

Identifiers

InChI

InChI=1S/C36H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(38)42-35-22-26(3)36(41)28(31(35)33(35,4)5)21-27(24-37)23-34(40)29(36)20-25(2)32(34)39/h20-21,26,28-29,31,37,40-41H,6-19,22-24H2,1-5H3/t26-,28+,29-,31-,34-,35+,36-/m1/s1

1 reference

12-Deoxyphorbol 13-palmitate (English)

QUVRUINWOFZNJL-IEIRSVMLSA-N

7 October 2016

InChIKey

2 references

12-Deoxyphorbol 13-palmitate (English)

7 October 2016

ChEBI release 2020-09-01

0 references

1 reference

(1aR,1bS,4aR,7aS,7bR,8R,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]azulen-9a-yl palmitate (English)

7 October 2016

2 references