(Q105308716)

English

(4R)-4-[(3R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-[3-[6-[[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

504.2570621 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(4R)-4-[(3S)-3-[(2R,3R,4S,5S,6R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one

1 reference

based on heuristic

inferred from InChI

(4R)-4-[(3R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₄₀O₁₁

0 references

canonical SMILES

O=C1C=C(C)C(CCC(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C)C(C)(C)C1

0 references

isomeric SMILES

CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Salacia chinensis

1 reference

stated in

Megastigmane Glycosides from the Leaves of Salacia chinensis

Identifiers

InChI

InChI=1S/C24H40O11/c1-11-7-13(26)8-24(3,4)14(11)6-5-12(2)33-23-21(31)19(29)18(28)16(35-23)10-32-22-20(30)17(27)15(9-25)34-22/h7,12,14-23,25,27-31H,5-6,8-10H2,1-4H3/t12-,14+,15+,16-,17+,18-,19+,20-,21-,22-,23-/m1/s1

0 references

InChIKey

WMOJOCZNFPTCBX-XKEMEYHGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WMOJOCZNFPTCBX-XKEMEYHGSA-N

1 reference

(Q105308716)

(4R)-4-[(3R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one

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