(Q105261196)

English

[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-7,11-bis(acetyloxymethyl)-5,6-dihydroxy-3,11,14-trimethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[7,11-Bis(acetyloxymethyl)-5,6-dihydroxy-3,11,14-trimethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

530.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₉

0 references

canonical SMILES

O=C(OC1C(=CC23C(=O)C(C=C(COC(=O)C)C(O)C12O)C4C(CC3C)C4(C)COC(=O)C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)[C@@]1(C)COC(C)=O

0 references

found in taxon

Euphorbia canari

1 reference

stated in

Terracinolides from Euphorbia terracina

Identifiers

InChI

InChI=1S/C29H38O9/c1-8-14(2)26(34)38-25-15(3)11-28-16(4)9-21-22(27(21,7)13-37-18(6)31)20(24(28)33)10-19(12-36-17(5)30)23(32)29(25,28)35/h8,10-11,16,20-23,25,32,35H,9,12-13H2,1-7H3/b14-8-/t16-,20+,21-,22+,23-,25+,27-,28+,29+/m1/s1

0 references

InChIKey

SUOHGOIHHZPJSG-GINMOIGRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SUOHGOIHHZPJSG-GINMOIGRSA-N

(Q105261196)

[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-7,11-bis(acetyloxymethyl)-5,6-dihydroxy-3,11,14-trimethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate

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Identifiers

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