(Q105218871)

English

1-O-[(1S)-1,4aalpha,5,7aalpha-Tetrahydro-5alpha-acetoxy-7-(acetoxymethyl)cyclopenta[c]pyran-1alpha-yl]-beta-D-glucopyranose tetraacetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-(acetyloxy)-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

598.189770388 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₅

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canonical SMILES

O=C(OCC1=CC(OC(=O)C)C2C=COC(OC3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C12)C

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isomeric SMILES

CC(=O)OCC1=C[C@@H](OC(C)=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]12

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found in taxon

Rehmannia glutinosa

1 reference

stated in

Iridoid glycosides of Rehmannia glutinosa

Identifiers

InChI

InChI=1S/C27H34O15/c1-12(28)35-10-18-9-20(37-14(3)30)19-7-8-34-26(22(18)19)42-27-25(40-17(6)33)24(39-16(5)32)23(38-15(4)31)21(41-27)11-36-13(2)29/h7-9,19-27H,10-11H2,1-6H3/t19-,20+,21+,22+,23+,24-,25+,26-,27-/m0/s1

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InChIKey

QDMIKXRCDANJJI-DVZKTYDOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QDMIKXRCDANJJI-DVZKTYDOSA-N

1 reference

(Q105218871)

1-O-[(1S)-1,4aalpha,5,7aalpha-Tetrahydro-5alpha-acetoxy-7-(acetoxymethyl)cyclopenta[c]pyran-1alpha-yl]-beta-D-glucopyranose tetraacetate

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