(Q105152237)

English

4alpha-deoxyphorbol 12-tiglate-13-isobutyrate (4a-dPE A)/isolated from Euphorbia amygdaloides ssp semiperfoliata

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[1-Hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

500.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4beta-deoxyphorbol 12-tiglate-13-isobutyrate (4-dPE A)/isolated from Euphorbia amygdaloides ssp. semiperfoliata

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₀O₇

0 references

canonical SMILES

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

0 references

isomeric SMILES

C/C=C(\C)C(=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@]12OC(=O)C(C)C

0 references

found in taxon

Croton tiglium

1 reference

stated in

Cytotoxic phorbol esters of Croton tiglium

Identifiers

InChI

InChI=1S/C29H40O7/c1-9-15(4)26(33)35-24-17(6)28(34)20-10-16(5)22(31)19(20)11-18(13-30)12-21(28)23-27(7,8)29(23,24)36-25(32)14(2)3/h9-10,12,14,17,19-21,23-24,30,34H,11,13H2,1-8H3/b15-9+/t17-,19-,20-,21+,23-,24-,28+,29-/m1/s1

0 references

InChIKey

LIKKXXHSQQGZKK-YKRWSJRRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LIKKXXHSQQGZKK-YKRWSJRRSA-N

1 reference

(Q105152237)

4alpha-deoxyphorbol 12-tiglate-13-isobutyrate (4a-dPE A)/isolated from Euphorbia amygdaloides ssp semiperfoliata

Statements

Identifiers

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