(Q105284509)

English

(1R,4S,5R,6R,9R,10S,12R,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1S,5R,9S,10R,12S)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one

1 reference

1 reference

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4R,5S,6S,9S,10R,12R,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one

1 reference

based on heuristic

inferred from InChIKey

ingenol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C1C2C=C(CO)C(O)C3(O)C(O)C(=CC13C(C)CC4C2C4(C)C)C

0 references

isomeric SMILES

CC1=C[C@@]23C(=O)[C@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@@H]1[C@@H](C[C@H]3C)C1(C)C

0 references

found in taxon

Euphorbia seguieriana

1 reference

stated in

Isolation of ingenol from the irritant and cocarcinogenic latex of Euphorbia seguieriana

Identifiers

InChI

InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12-,13-,14-,15+,16-,19-,20-/m1/s1

0 references

InChIKey

VEBVPUXQAPLADL-RGIVKYQRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VEBVPUXQAPLADL-RGIVKYQRSA-N

(Q105284509)

(1R,4S,5R,6R,9R,10S,12R,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one

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Identifiers

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