(Q105251683)

English

[(1S,4R,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-6-yl]-6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranoside

chemical compound

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Statements

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-6-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(OC3CC4CCC3(OC4(C)C)C)C(O)C(O)C2O)C1O

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isomeric SMILES

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

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found in taxon

Celastrus orbiculatus

1 reference

stated in

Glycosidic Constituents of Celastrus orbiculatus

Identifiers

InChI

InChI=1S/C21H36O11/c1-19(2)10-4-5-20(3,32-19)12(6-10)31-17-15(25)14(24)13(23)11(30-17)7-28-18-16(26)21(27,8-22)9-29-18/h10-18,22-27H,4-9H2,1-3H3/t10-,11-,12+,13-,14+,15-,16+,17+,18-,20+,21-/m1/s1

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InChIKey

SFDNWSCFCRWISC-GNMWDIMASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SFDNWSCFCRWISC-GNMWDIMASA-N

1 reference

(Q105251683)

[(1S,4R,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-6-yl]-6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranoside

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Identifiers

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