(Q105359649)

English

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

group of stereoisomers with the chemical formula C₁₆H₂₄O₁₁

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Statements

instance of

group of stereoisomers

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1 reference

392.13186158799994 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₆H₂₄O₁₁

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3(O)C

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isomeric SMILES

C[C@@]1(O)CC(O)[C@H]2C(C(=O)O)=COC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]21

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found in taxon

Gardenia jasminoides

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stated in

Isolation and purification of iridoid glycosides from Gardenia jasminoides Ellis by isocratic reversed-phase two-dimensional preparative high-performance liquid chromatography with column switch technology

Identifiers

InChI

InChI=1S/C16H24O11/c1-16(24)2-6(18)8-5(13(22)23)4-25-14(9(8)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4,6-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t6?,7-,8-,9+,10-,11+,12-,14?,15+,16-/m1/s1

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InChIKey

YSIFYNVXJOGADM-ADPNGGKWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

YSIFYNVXJOGADM-ADPNGGKWSA-N

1 reference

(Q105359649)

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

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Identifiers

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