(Q105124179)

English

methyl (3R,4R,5R)-3-hydroxy-4,5-bis[[(E)-3-methylpent-2-enoyl]oxy]cyclohexene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 3-hydroxy-4,5-bis(3-methylpent-2-enoyloxy)cyclohexene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

380.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₇

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canonical SMILES

O=C(OC1CC(=CC(O)C1OC(=O)C=C(C)CC)C(=O)OC)C=C(C)CC

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isomeric SMILES

CC/C(C)=C/C(=O)O[C@@H]1CC(C(=O)OC)=C[C@@H](O)[C@H]1OC(=O)/C=C(\C)CC

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found in taxon

Senecio duriaei

1 reference

stated in

Di-O-acyl derivatives of shikimic acid from Senecio nebrodensis

Senecio nebrodensis

1 reference

stated in

Di-O-acyl derivatives of shikimic acid from Senecio nebrodensis

Senecio squalidus

1 reference

stated in

Di-O-acyl derivatives of shikimic acid from Senecio nebrodensis

Senecio lividus

1 reference

stated in

Di-O-acyl derivatives of shikimic acid from Senecio nebrodensis

Identifiers

InChI

InChI=1S/C20H28O7/c1-6-12(3)8-17(22)26-16-11-14(20(24)25-5)10-15(21)19(16)27-18(23)9-13(4)7-2/h8-10,15-16,19,21H,6-7,11H2,1-5H3/b12-8+,13-9+/t15-,16-,19-/m1/s1

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InChIKey

JBACGGCHMOGCEM-VVIKSDSVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JBACGGCHMOGCEM-VVIKSDSVSA-N

(Q105124179)

methyl (3R,4R,5R)-3-hydroxy-4,5-bis[[(E)-3-methylpent-2-enoyl]oxy]cyclohexene-1-carboxylate

Statements

Identifiers

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