(Q105326516)

English

[(1R,2R,3R,4R,5S,6S)-4-acetyloxy-2,3-dihydroxy-5,6-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4-Acetyloxy-2,3-dihydroxy-5,6-bis(2-methylbut-2-enoyloxy)cyclohexyl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

468.199547224 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₁₀

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canonical SMILES

O=C(OC1C(O)C(O)C(OC(=O)C)C(OC(=O)C(=CC)C)C1OC(=O)C(=CC)C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Marshallia graminifolia

1 reference

stated in

Flavonoids inositol esters and pantolactone homologues from marshallia tenuifolia

Vernonia angustifolia

1 reference

stated in

Flavonoids inositol esters and pantolactone homologues from marshallia tenuifolia

Identifiers

InChI

InChI=1S/C23H32O10/c1-8-11(4)21(27)31-18-16(26)15(25)17(30-14(7)24)19(32-22(28)12(5)9-2)20(18)33-23(29)13(6)10-3/h8-10,15-20,25-26H,1-7H3/b11-8-,12-9-,13-10-/t15-,16-,17-,18-,19+,20+/m1/s1

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InChIKey

XEPLPNDOHGTVRI-GWXLIUMUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XEPLPNDOHGTVRI-GWXLIUMUSA-N

(Q105326516)

[(1R,2R,3R,4R,5S,6S)-4-acetyloxy-2,3-dihydroxy-5,6-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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