(Q105155199)

English

2-[(1S,4S,5S,6R,9S,10R,12R,14R)-4-(carboxymethyl)-5-hydroxy-3,7,11,11,14-pentamethyl-15-oxo-6-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

416.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₆

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canonical SMILES

O=C(O)CC1C(=CC2C(=O)C3(C=C(C)C(CC(=O)O)C13O)C(C)CC4C2C4(C)C)C

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isomeric SMILES

CC1=C[C@]23C(=O)[C@@H](C=C(C)[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

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stated in

Biologically active diterpene esters from euphorbia peplus

Identifiers

InChI

InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1

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InChIKey

LPILXZUKZAMNLO-HJKQKUJRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LPILXZUKZAMNLO-HJKQKUJRSA-N

(Q105155199)

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

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