(Q105285651)

English

methyl (1S,4aR,6S,7R,7aS)-4a,6,7-trihydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 4a,6,7-trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

422.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4aR,6S,7R,7aS)-4a,6,7-trihydroxy-7-methyl-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from InChIKey

methyl (1S,4aR,6R,7R,7aS)-4a,6,7-trihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₁₇H₂₆O₁₂

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1(O)CC(O)C3(O)C

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@]1(O)C[C@H](O)[C@]2(C)O

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found in taxon

Duranta erecta

1 reference

stated in

Iridoid glucosides from the leaves and stems of Duranta erecta

Phlomis regelii

1 reference

stated in

Phlomoside B - An iridoid glycoside fromPhlomis regelii

Fridericia elegans

1 reference

stated in

Inhaltsstoffe aus Pseudocalymma elegans (Vell.) Kuhlm. 1. Isolierung von Allantoin, Lamiid und Sorbarin / Ingredients from Pseudocalymma elegans (Vell.) Kuhlm. 1. Isolation of Allantoin, Lamiide, and Sorbarin

Identifiers

InChI

InChI=1S/C17H26O12/c1-16(24)8(19)3-17(25)6(13(23)26-2)5-27-15(12(16)17)29-14-11(22)10(21)9(20)7(4-18)28-14/h5,7-12,14-15,18-22,24-25H,3-4H2,1-2H3/t7-,8+,9-,10+,11-,12-,14-,15+,16+,17+/m1/s1

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InChIKey

VFYACENSDOLJGQ-UEIFGGBYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105285651)

methyl (1S,4aR,6S,7R,7aS)-4a,6,7-trihydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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