(Q105144921)

English

[(2R,3S,4S,5R)-6-[[(1S,4aR,5S,6R,7S,7aR)-5,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

group of stereoisomers with the chemical formula C₂₃H₃₀O₁₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

498.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀O₁₂

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canonical SMILES

O=C(OCC1OC(OC2OC=CC3C(O)C(O)C(C)C23)C(O)C(O)C1O)C4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(C(=O)OC[C@H]2OC(O[C@@H]3OC=C[C@H]4[C@H](O)[C@H](O)[C@@H](C)[C@@H]34)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

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found in taxon

Verbascum dentifolium

1 reference

stated in

Iridoids from Verbascum dentifolium

Identifiers

InChI

InChI=1S/C23H30O12/c1-9-15-11(17(26)16(9)25)5-6-32-22(15)35-23-20(29)19(28)18(27)14(34-23)8-33-21(30)10-3-4-12(24)13(7-10)31-2/h3-7,9,11,14-20,22-29H,8H2,1-2H3/t9-,11+,14+,15+,16+,17-,18+,19-,20+,22-,23?/m0/s1

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InChIKey

KRBXVXVIFDREQY-YDDPPXOHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KRBXVXVIFDREQY-YDDPPXOHSA-N

(Q105144921)

[(2R,3S,4S,5R)-6-[[(1S,4aR,5S,6R,7S,7aR)-5,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

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Identifiers

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