(Q105241812)

English

[(1R,2R,6R,10S,11R,13S,14R,15R)-1,13-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (4E)-octa-2,4-dienoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

tigliane diterpenoid

0 references

mass

470.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₈O₆

0 references

canonical SMILES

O=C(OC1C(C)C2(O)C3C=C(C(=O)C3CC(=CC2C4C1(O)C4(C)C)CO)C)C=CC=CCCC

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isomeric SMILES

CCC/C=C/C=CC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@H]3C(=O)C(C)=C[C@H]32)[C@@H]2C(C)(C)[C@]12O

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found in taxon

Euphorbia tirucalli

1 reference

stated in

Characterization of an Irritant 4-Deoxyphorbol Diester From Euphorbia Tirucalli

Identifiers

InChI

InChI=1S/C28H38O6/c1-6-7-8-9-10-11-22(30)34-25-17(3)27(32)20-12-16(2)23(31)19(20)13-18(15-29)14-21(27)24-26(4,5)28(24,25)33/h8-12,14,17,19-21,24-25,29,32-33H,6-7,13,15H2,1-5H3/b9-8+,11-10?/t17-,19-,20-,21+,24-,25-,27+,28-/m1/s1

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InChIKey

RNSOPTPHJBVSTN-PNKFGSDASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RNSOPTPHJBVSTN-PNKFGSDASA-N

(Q105241812)

[(1R,2R,6R,10S,11R,13S,14R,15R)-1,13-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (4E)-octa-2,4-dienoate

Statements

Identifiers

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