(Q105329583)

English

[(2R,3R,4R,5R,6R)-3-acetyloxy-4-[(2S,3R,4R,5S,6S)-3,4-diacetyloxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3-(acetyloxy)-4-{[3,4-bis(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-[(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)oxy]oxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

766.413956664 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₂O₁₄

0 references

canonical SMILES

O=C(OCC1OC(OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(O)C(OC2OC(C)C(O)C(OC(=O)C)C2OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

CC(=O)OC[C@H]1O[C@@H](OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]1OC(C)=O

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found in taxon

Cupania vernalis

1 reference

stated in

New tetra-acetylated oligosaccharide diterpene from Cupania vernalis

Identifiers

InChI

InChI=1S/C40H62O14/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-19-26(5)20-21-47-39-34(46)37(35(50-29(8)42)32(53-39)22-48-28(7)41)54-40-38(52-31(10)44)36(51-30(9)43)33(45)27(6)49-40/h14,16,18,20,27,32-40,45-46H,11-13,15,17,19,21-22H2,1-10H3/b24-16+,25-18+,26-20+/t27-,32+,33-,34+,35+,36+,37+,38+,39+,40-/m0/s1

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InChIKey

XKNKITHFLRUKKY-XRLHIHFASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XKNKITHFLRUKKY-XRLHIHFASA-N

1 reference

(Q105329583)

[(2R,3R,4R,5R,6R)-3-acetyloxy-4-[(2S,3R,4R,5S,6S)-3,4-diacetyloxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxan-2-yl]methyl acetate

Statements

Identifiers

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