(Q105276764)

English

[(2R,3R,4S,5R,6S)-6-[[(1S,4aS,5R,7aR)-5-acetyloxy-7-(acetyloxymethyl)-4a-hydroxy-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,4,5-triacetyloxy-6-[[5-acetyloxy-7-(acetyloxymethyl)-4a-hydroxy-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]oxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

614.184685008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₆

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canonical SMILES

O=C(OCC1=CC(OC(=O)C)C2(O)C=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@]2(O)C=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/C27H34O16/c1-12(28)36-10-18-9-20(38-14(3)30)27(34)7-8-35-25(21(18)27)43-26-24(41-17(6)33)23(40-16(5)32)22(39-15(4)31)19(42-26)11-37-13(2)29/h7-9,19-26,34H,10-11H2,1-6H3/t19-,20-,21+,22-,23+,24-,25+,26+,27-/m1/s1

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InChIKey

UPFFXQFUQVRONT-VXKIIMKZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UPFFXQFUQVRONT-VXKIIMKZSA-N

(Q105276764)

[(2R,3R,4S,5R,6S)-6-[[(1S,4aS,5R,7aR)-5-acetyloxy-7-(acetyloxymethyl)-4a-hydroxy-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate

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Identifiers

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