(Q113960207)

English

[(1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

lathyrane diterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

642.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3E,5R,7S,9S,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate

1 reference

1 reference

C₃₈H₄₂O₉

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canonical SMILES

O=C(OC1C(=C)C(OC(=O)C)C2C(OC(=O)C=3C=CC=CC3)C(C)CC2(OC(=O)C)C(=O)C(=CC4C(C1)C4(C)C)C)C=5C=CC=CC5

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isomeric SMILES

C=C1[C@H](OC(=O)c2ccccc2)C[C@H]2[C@@H](/C=C(/C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C

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found in taxon

Euphorbia lathyris

1 reference

stated in

Anti-inflammatory Lathyrane Diterpenoids from Euphorbia lathyris

Identifiers

InChI

InChI=1S/C38H42O9/c1-21-18-28-29(37(28,6)7)19-30(45-35(42)26-14-10-8-11-15-26)23(3)33(44-24(4)39)31-32(46-36(43)27-16-12-9-13-17-27)22(2)20-38(31,34(21)41)47-25(5)40/h8-18,22,28-33H,3,19-20H2,1-2,4-7H3/b21-18-/t22-,28+,29-,30+,31+,32-,33-,38+/m0/s1

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InChIKey

AFRGWGGHJYMSDU-NKGNXCQNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AFRGWGGHJYMSDU-NKGNXCQNSA-N

1 reference

0 references

(Q113960207)

[(1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate

Statements

Identifiers

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