(Q104992559)

English

dimethyl (1S,4aR,7S,7aR)-4a-hydroxy-5-oxo-1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4,7-dicarboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Dimethyl 4a-hydroxy-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4,7-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

448.121690828 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₄O₁₃

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C(=O)OC)CC(=O)C13O

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isomeric SMILES

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

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found in taxon

Plumiera

1 reference

stated in

Iridoid glucosides in Griselinia, Aralidium and Toricellia

Verbena brasiliensis

1 reference

stated in

New iridoid glucosides from the aerial parts of Verbena brasiliensis

Identifiers

InChI

InChI=1S/C18H24O13/c1-27-14(24)6-3-9(20)18(26)7(15(25)28-2)5-29-16(10(6)18)31-17-13(23)12(22)11(21)8(4-19)30-17/h5-6,8,10-13,16-17,19,21-23,26H,3-4H2,1-2H3/t6-,8-,10-,11+,12+,13-,16-,17-,18+/m0/s1

0 references

InChIKey

FBCCHXZZIXDKRH-OMUZXOJQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FBCCHXZZIXDKRH-OMUZXOJQSA-N

1 reference

(Q104992559)

dimethyl (1S,4aR,7S,7aR)-4a-hydroxy-5-oxo-1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4,7-dicarboxylate

Statements

Identifiers

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