(Q105387038)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

12-Deoxyphorbo 13-Angelate 20-Acetate

1 reference

based on heuristic

inferred from SMILES

mass

472.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

12-Deoxyphorbol-13-tiglate-20-acetate

1 reference

based on heuristic

inferred from InChI

12-Deoxyphorbol-13-angelate-20-acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₆O₇

0 references

canonical SMILES

O=C(OC12CC(C)C3(O)C(C=C(COC(=O)C)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@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@H]43)[C@@H]1C2(C)C

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found in taxon

Euphorbia fortissima

1 reference

stated in

Skin irritants of Euphorbia fortissima

Identifiers

InChI

InChI=1S/C27H36O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h8-10,16,19-21,31-32H,11-13H2,1-7H3/b14-8+/t16-,19+,20+,21-,25-,26+,27-/m1/s1

0 references

InChIKey

ZZTJICHINNSOQL-DYRYBZDPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZZTJICHINNSOQL-DYRYBZDPSA-N

(Q105387038)

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

Statements

Identifiers

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