(Q104985536)

English

(2R,3R,4S,5S,6R)-2-[(3S)-3,7-dimethyloct-6-enoxy]-6-[[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3,7-Dimethyloct-6-enoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

450.246497416 dalton

1 reference

1 reference

C₂₁H₃₈O₁₀

0 references

canonical SMILES

OC1COC(OCC2OC(OCCC(C)CCC=C(C)C)C(O)C(O)C2O)C(O)C1O

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isomeric SMILES

CC(C)=CCC[C@H](C)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Rhodiola crenulata

1 reference

stated in

Bioactive constituents from Chinese natural medicines. XXVIII. Chemical structures of acyclic alcohol glycosides from the roots of Rhodiola crenulata

Identifiers

InChI

InChI=1S/C21H38O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,12-27H,4,6-10H2,1-3H3/t12-,13-,14+,15-,16+,17-,18-,19+,20+,21+/m0/s1

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InChIKey

DNFPDMPLVACOKC-NLRDBMBESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DNFPDMPLVACOKC-NLRDBMBESA-N

(Q104985536)

(2R,3R,4S,5S,6R)-2-[(3S)-3,7-dimethyloct-6-enoxy]-6-[[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

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