(Q105328810)

English

[(1R,2R,3R,4S,5S,7R,8R,9R,10S,14R,16S)-1,8,16-triacetyloxy-7-hydroxy-2-(2-hydroxyacetyl)oxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1,8,16-Triacetyloxy-7-hydroxy-2-(2-hydroxyacetyl)oxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate

1 reference

based on heuristic

inferred from SMILES

[(1R,2R,3R,4S,5S,7R,8R,9R,16S)-1,8,16-triacetyloxy-7-hydroxy-2-(2-hydroxyacetyl)oxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

672.278191468 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,3R,4S,5S,7R,8R,9R,10S,14R,16R)-1,8,16-triacetyloxy-7-hydroxy-2-(2-hydroxyacetyl)oxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₄O₁₃

0 references

canonical SMILES

O=C(OC1C(C)CC2(O)C(OC(=O)C)C3(C)C(OC(=O)C)C(OC(=O)C)(CC4C(=O)C(C)(C)CC43)C(OC(=O)CO)C12)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@@H]1[C@@]2(OC(C)=O)C[C@H]3C(=O)C(C)(C)C[C@@H]3[C@]1(C)[C@@H](OC(C)=O)[C@@]1(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@H]2OC(=O)CO

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found in taxon

Euphorbia paralias

2 references

stated in

Molluscicidal and anti-feedant activities of diterpenes from Euphorbia paralias L.

stated in

Diterpenoids from Euphorbia paralias

Identifiers

InChI

InChI=1S/C35H44O13/c1-17-13-34(43)25(26(17)47-29(42)21-11-9-8-10-12-21)28(46-24(40)16-36)35(48-20(4)39)14-22-23(15-32(5,6)27(22)41)33(7,30(34)44-18(2)37)31(35)45-19(3)38/h8-12,17,22-23,25-26,28,30-31,36,43H,13-16H2,1-7H3/t17-,22+,23-,25+,26-,28+,30+,31-,33+,34+,35+/m0/s1

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InChIKey

XIZUZZXWYLTRAC-HOXFJHHASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XIZUZZXWYLTRAC-HOXFJHHASA-N

(Q105328810)

[(1R,2R,3R,4S,5S,7R,8R,9R,10S,14R,16S)-1,8,16-triacetyloxy-7-hydroxy-2-(2-hydroxyacetyl)oxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate

Statements

Identifiers

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