(Q105324322)

English

(1S,4aR,7aR)-7-(benzoyloxymethyl)-4a-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-[(benzoyloxy)methyl]-4a-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

494.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₆O₁₂

0 references

canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CCC13O)COC(=O)C=4C=CC=CC4

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isomeric SMILES

O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(=O)c3ccccc3)=CC[C@]12O

0 references

found in taxon

Cerbera manghas

1 reference

stated in

10-O-benzoyltheveside and 10-dehydrogeniposide from the leaves of Cerbera manghas

Identifiers

InChI

InChI=1S/C23H26O12/c24-8-14-16(25)17(26)18(27)22(34-14)35-21-15-12(9-32-20(30)11-4-2-1-3-5-11)6-7-23(15,31)13(10-33-21)19(28)29/h1-6,10,14-18,21-22,24-27,31H,7-9H2,(H,28,29)/t14-,15+,16-,17+,18-,21+,22+,23+/m1/s1

0 references

InChIKey

XBDBGFFXQSWJBI-OYNWGSIESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBDBGFFXQSWJBI-OYNWGSIESA-N

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