(Q105185996)

English

(2R)-4-[(1S)-2,2,6beta-Trimethyl-4beta-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)cyclohexane-1alpha-yl]-2-butanol

chemical compound

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instance of

type of chemical entity

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subclass of

2-{[4-(3-hydroxybutyl)-3,3,5-trimethylcyclohexyl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

508.288362228 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,4S,5S,6R)-2-[(1S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3,3,5-trimethylcyclohexyl]oxy-6-[[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₄H₄₄O₁₁

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canonical SMILES

OC(C)CCC1C(C)CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)CC1(C)C

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isomeric SMILES

C[C@@H](O)CC[C@H]1[C@H](C)C[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)CC1(C)C

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found in taxon

Alangium platanifolium

1 reference

stated in

Platanionosides D-J: megastigmane glycosides from the leaves of Alangium platanifolium (Sieb. et Zucc.) Harms var. platanifolium Sieb. et Zucc

Alangium premnifolium

1 reference

stated in

Alangionosides G-M: glycosides of megastigmane derivatives from the leaves of Alangium premnifolium

Identifiers

InChI

InChI=1S/C24H44O11/c1-11-7-13(8-24(3,4)14(11)6-5-12(2)25)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h11-23,25-31H,5-10H2,1-4H3/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1

0 references

InChIKey

NURSGIAVBMONQM-QYVZUZEOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NURSGIAVBMONQM-QYVZUZEOSA-N

1 reference

(Q105185996)

(2R)-4-[(1S)-2,2,6beta-Trimethyl-4beta-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)cyclohexane-1alpha-yl]-2-butanol

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