(Q105343220)

English

[(1S,2R,6R,10R,11S,13S,14R,15R)-1,6,14-trihydroxy-4,12,12,15-tetramethyl-13-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl (9E,12E)-octadeca-9,12-dienoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1,6,14-Trihydroxy-4,12,12,15-tetramethyl-13-(2-methylbut-2-enoyloxy)-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl octadeca-9,12-dienoate

1 reference

based on heuristic

inferred from SMILES

mass

708.460119008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

13-O-Tigloylphorbol-20-linoleate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₆₄O₈

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canonical SMILES

O=C(OC12C(O)C(C)C3(O)C(C=C(COC(=O)CCCCCCCC=CCC=CCCCCC)CC4(O)C(=O)C(=CC43)C)C1C2(C)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@]12[C@@H]([C@H]3C=C(COC(=O)CCCCCCC/C=C/C/C=C/CCCCC)C[C@]4(O)C(=O)C(C)=C[C@@H]4[C@@]3(O)[C@H](C)[C@H]1O)C2(C)C

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found in taxon

Croton tiglium

1 reference

stated in

Anti-HIV-1 phorbol esters from the seeds of Croton tiglium

Identifiers

InChI

InChI=1S/C43H64O8/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(44)50-28-32-26-33-36-40(6,7)43(36,51-39(47)29(3)9-2)38(46)31(5)42(33,49)34-25-30(4)37(45)41(34,48)27-32/h9,13-14,16-17,25-26,31,33-34,36,38,46,48-49H,8,10-12,15,18-24,27-28H2,1-7H3/b14-13+,17-16+,29-9+/t31-,33-,34+,36+,38-,41-,42-,43-/m1/s1

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InChIKey

XVWMMWFBGOHQFS-LSVZDXHNSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105343220)

[(1S,2R,6R,10R,11S,13S,14R,15R)-1,6,14-trihydroxy-4,12,12,15-tetramethyl-13-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl (9E,12E)-octadeca-9,12-dienoate

Statements

Identifiers

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