(Q105196711)

English

(11R)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

11-[(3-{[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]hexadecanoic acid

1 reference

based on heuristic

inferred from SMILES

856.466780084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(11R)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₇₂O₁₉

0 references

canonical SMILES

O=C(O)CCCCCCCCCC(OC1OC(C)C(O)C(O)C1OC2OC(C)C(O)C(O)C2OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)CCCCC

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isomeric SMILES

CCCCC[C@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O

0 references

Ipomoea capillacea

1 reference

Resin glycosides. II. Identification and characterization of the component organic and glycosidic acids of the crude resin glycoside from the seeds of Ipomoea muricata.

Ipomoea muricata

1 reference

Resin glycosides. II. Identification and characterization of the component organic and glycosidic acids of the crude resin glycoside from the seeds of Ipomoea muricata.

Identifiers

InChI=1S/C40H72O19/c1-6-7-13-16-23(17-14-11-9-8-10-12-15-18-24(41)42)56-39-35(29(47)26(44)20(3)53-39)59-40-36(30(48)27(45)21(4)54-40)58-38-33(51)31(49)34(22(5)55-38)57-37-32(50)28(46)25(43)19(2)52-37/h19-23,25-40,43-51H,6-18H2,1-5H3,(H,41,42)/t19-,20-,21-,22+,23-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37+,38+,39+,40+/m1/s1

0 references

OQCOSEPGAKOHQL-XYVVGTGKSA-N

0 references

2 references

15 September 2022

matched by identifier from

OQCOSEPGAKOHQL-XYVVGTGKSA-N

UniChem compound ID

1 reference

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