(Q105216551)

English

2-[(1S,4S,5R,6R,9S,10R,12R,14R)-6,7-bis(carboxymethyl)-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]acetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

460.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₈

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canonical SMILES

O=C(O)CC1=CC2C(=O)C3(C=C(C)C(CC(=O)O)C3(O)C1CC(=O)O)C(C)CC4C2C4(C)C

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isomeric SMILES

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

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found in taxon

Euphorbia peplus

1 reference

stated in

Biologically active diterpene esters from euphorbia peplus

Identifiers

InChI

InChI=1S/C25H32O8/c1-11-10-24-12(2)5-17-21(23(17,3)4)14(22(24)32)6-13(7-18(26)27)16(9-20(30)31)25(24,33)15(11)8-19(28)29/h6,10,12,14-17,21,33H,5,7-9H2,1-4H3,(H,26,27)(H,28,29)(H,30,31)/t12-,14+,15+,16-,17-,21+,24+,25-/m1/s1

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InChIKey

PYEOPUBSVAACES-CINZWWHMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PYEOPUBSVAACES-CINZWWHMSA-N

(Q105216551)

2-[(1S,4S,5R,6R,9S,10R,12R,14R)-6,7-bis(carboxymethyl)-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]acetic acid

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Identifiers

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