(Q104978628)

English

(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

chemical compound

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instance of

type of chemical entity

0 references

1 reference

7-(Acetyloxymethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

432.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

10-O-Acetylscandoside

1 reference

1 reference

C₁₈H₂₄O₁₂

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CC(O)C13)COC(=O)C

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isomeric SMILES

CC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12

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found in taxon

Morinda citrifolia

1 reference

stated in

Chemical constituents of the fruits of Morinda citrifolia (Noni) and their antioxidant activity.

Identifiers

InChI

InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10-,11+,12-,13-,14+,15-,17-,18+/m0/s1

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InChIKey

DGDWCRWJRNMRKX-OKEASSFKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DGDWCRWJRNMRKX-OKEASSFKSA-N

1 reference

(Q104978628)

(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

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