(Q105227929)

English

(2R,3S,4S,5R,6S)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(1r,4r)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl]oxy}oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

464.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₆O₁₁

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canonical SMILES

OCC1(O)COC(OCC2OC(OC34CCC(OC3(C)C)(C)CC4)C(O)C(O)C2O)C1O

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isomeric SMILES

CC1(C)O[C@]2(C)CC[C@@]1(O[C@@H]1O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)CC2

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found in taxon

Morella esculenta

1 reference

stated in

A new monoterpenoid glycoside from Myrica esculenta and the inhibition of angiotensin I-converting enzyme

Identifiers

InChI

InChI=1S/C21H36O11/c1-18(2)21(6-4-19(3,32-18)5-7-21)31-16-14(25)13(24)12(23)11(30-16)8-28-17-15(26)20(27,9-22)10-29-17/h11-17,22-27H,4-10H2,1-3H3/t11-,12-,13+,14-,15+,16+,17-,19-,20-,21-/m1/s1

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InChIKey

QTTZVGAKIISNTR-HICBYPGPSA-N

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(Q105227929)

(2R,3S,4S,5R,6S)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(1r,4r)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl]oxy}oxane-3,4,5-triol

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Identifiers

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