(Q105111289)

English

[(1S,4S,5R,6R,9R,10R,12R,14R)-4-acetyloxy-5-hydroxy-3,7,11,11,14-pentamethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

4-(acetyloxy)-5-hydroxy-3,7,11,11,14-pentamethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-6-yl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

478.235538808 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₄O₆

0 references

canonical SMILES

O=C(OC1C(=CC2C(=O)C3(C=C(C)C(OC(=O)C)C13O)C(C)CC4C2C4(C)C)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@H](C=C(C)[C@@H](OC(=O)c4ccccc4)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C

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found in taxon

Euphorbia kansui

1 reference

stated in

Bioassay-guided separation of the proinflammatory constituents from the roots of Euphorbia kansui.

Identifiers

InChI

InChI=1S/C29H34O6/c1-15-12-20-22-21(27(22,5)6)13-17(3)28(23(20)31)14-16(2)25(34-18(4)30)29(28,33)24(15)35-26(32)19-10-8-7-9-11-19/h7-12,14,17,20-22,24-25,33H,13H2,1-6H3/t17-,20-,21-,22+,24-,25+,28+,29+/m1/s1

0 references

InChIKey

IDDLQFSLFADOOA-ISFUUBDKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IDDLQFSLFADOOA-ISFUUBDKSA-N

1 reference

(Q105111289)

[(1S,4S,5R,6R,9R,10R,12R,14R)-4-acetyloxy-5-hydroxy-3,7,11,11,14-pentamethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] benzoate

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Identifiers

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