(Q105229230)

English

(2R,3R,4S,5S,6R)-2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-({6,6-dimethylbicyclo[3.1.1]hept-2-en-3-yl}methoxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

446.215197288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₄O₁₀

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canonical SMILES

OC1COC(OCC2OC(OCC3=CC4CC(C3)C4(C)C)C(O)C(O)C2O)C(O)C1O

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isomeric SMILES

CC1(C)[C@@H]2CC(CO[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C[C@H]1C2

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found in taxon

Rhodiola chrysanthemifolia

1 reference

stated in

Prolyl endopeptidase inhibitors from the underground part of Rhodiola sacra S. H. Fu.

Rhodiola sacra

1 reference

stated in

Prolyl endopeptidase inhibitors from the underground part of Rhodiola sacra S. H. Fu.

Identifiers

InChI

InChI=1S/C21H34O10/c1-21(2)10-3-9(4-11(21)5-10)6-28-20-18(27)16(25)15(24)13(31-20)8-30-19-17(26)14(23)12(22)7-29-19/h3,10-20,22-27H,4-8H2,1-2H3/t10-,11+,12-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1

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InChIKey

QWJUEOFJTJJNRF-BOQKBKBYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105229230)

(2R,3R,4S,5S,6R)-2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

Statements

Identifiers

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