(Q104922494)

English

(2R,3R,4S,5S,6R)-2-[[(1R,3S,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]oxy]-6-[[(2R,3R,4R,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-[(6,6-Dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)oxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

446.215197288 dalton

1 reference

1 reference

C₂₁H₃₄O₁₀

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canonical SMILES

OC1COC(OCC2OC(OC3C(=C)C4CC(C3)C4(C)C)C(O)C(O)C2O)C(O)C1O

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isomeric SMILES

C=C1[C@@H](O[C@@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2C[C@@H]1C2(C)C

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found in taxon

Rhodiola sachalinensis

1 reference

stated in

Bioactive constituents from Chinese natural medicines. XXVI. Chemical structures and hepatoprotective effects of constituents from roots of Rhodiola sachalinensis

Rhodiola rosea

1 reference

stated in

Bioactive constituents from Chinese natural medicines. XXVI. Chemical structures and hepatoprotective effects of constituents from roots of Rhodiola sachalinensis

Identifiers

InChI

InChI=1S/C21H34O10/c1-8-10-4-9(21(10,2)3)5-12(8)30-20-18(27)16(25)15(24)13(31-20)7-29-19-17(26)14(23)11(22)6-28-19/h9-20,22-27H,1,4-7H2,2-3H3/t9-,10+,11+,12+,13-,14-,15-,16+,17-,18-,19-,20-/m1/s1

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InChIKey

BAWFMLVRUDRUAA-JCIZUSNUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BAWFMLVRUDRUAA-JCIZUSNUSA-N

(Q104922494)

(2R,3R,4S,5S,6R)-2-[[(1R,3S,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]oxy]-6-[[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

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Identifiers

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