(Q105350331)

English

(2R,3R,4S,5S,6R)-2-[(2S)-1-hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxy-6-(hydroxymethyl)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-[1-Hydroxy-4-(4-hydroxy-2,2,6-trimethylcyclohexyl)butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

392.241018112 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,4S,5R,6R)-2-[(2S)-1-hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3R,4S,5R,6R)-2-[(2R)-1-hydroxy-4-[(1R,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₆O₈

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canonical SMILES

OCC(OC1OC(CO)C(O)C(O)C1O)CCC2C(C)CC(O)CC2(C)C

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isomeric SMILES

C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1CC[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Sedum sarmentosum

1 reference

stated in

Megastigmanes and their glucosides from the whole plant of Sedum sarmentosum

Identifiers

InChI

InChI=1S/C19H36O8/c1-10-6-11(22)7-19(2,3)13(10)5-4-12(8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h10-18,20-25H,4-9H2,1-3H3/t10-,11+,12+,13+,14-,15-,16+,17-,18-/m1/s1

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InChIKey

YLVQALUBDBODPM-IVBSIHMHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YLVQALUBDBODPM-IVBSIHMHSA-N

1 reference

(Q105350331)

(2R,3R,4S,5S,6R)-2-[(2S)-1-hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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