(Q105185997)

English

(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

chemical compound

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Statements

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

2 references

inferred from InChIKey

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₄₄O₁₁

0 references

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

Salacia chinensis

1 reference

stated in

New triterpene constituents, foliasalacins A(1)-A(4), B(1)-B(3), and C, from the leaves of Salacia chinensis

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

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InChIKey

NURSGIAVBMONQM-QZYVVOFBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NURSGIAVBMONQM-QZYVVOFBSA-N

(Q105185997)

(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

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