(Q105293094)

English

[(1S,4aR,5S,7aS)-5-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl]methyl 4-hydroxy-3-methoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

496.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₁₂

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canonical SMILES

O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)C4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(C(=O)OCC2=C[C@@H](O)[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]23)ccc1O

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found in taxon

Vitex rotundifolia

2 references

stated in

Pharmacologically active components of viticis fructus (Vitex rotundifolia). II. The components having analgesic effects

stated in

Pharmacologically active components of viticis fructus (Vitex rotundifolia). II. The components having analgesic effects

Vitex peduncularis

1 reference

stated in

Iridoids with anti-inflammatory activity from Vitex peduncularis

Identifiers

InChI

InChI=1S/C23H28O12/c1-31-15-7-10(2-3-13(15)25)21(30)33-9-11-6-14(26)12-4-5-32-22(17(11)12)35-23-20(29)19(28)18(27)16(8-24)34-23/h2-7,12,14,16-20,22-29H,8-9H2,1H3/t12-,14+,16+,17+,18+,19-,20+,22-,23-/m0/s1

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InChIKey

VTYVNBXSLBXSGD-IFWLTBFJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VTYVNBXSLBXSGD-IFWLTBFJSA-N

1 reference

(Q105293094)

[(1S,4aR,5S,7aS)-5-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl]methyl 4-hydroxy-3-methoxybenzoate

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