(Q105345290)

English

(2R,3R,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4-diol

chemical compound

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instance of

type of chemical entity

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subclass of

5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[(4-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}but-3-en-2-yl)oxy]-2-(hydroxymethyl)oxane-3,4-diol

1 reference

based on heuristic

inferred from SMILES

mass

520.25197672 dalton

1 reference

1 reference

(2R,3S,4S,5R,6R)-5-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₄₀O₁₂

0 references

canonical SMILES

OCC1OC(OC(C=CC23OC3(C)CC(O)CC2(C)C)C)C(OC4OCC(O)(CO)C4O)C(O)C1O

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isomeric SMILES

C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O

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found in taxon

Acanthus ebracteatus

1 reference

stated in

Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus

Identifiers

InChI

InChI=1S/C24H40O12/c1-12(5-6-24-21(2,3)7-13(27)8-22(24,4)36-24)33-19-17(16(29)15(28)14(9-25)34-19)35-20-18(30)23(31,10-26)11-32-20/h5-6,12-20,25-31H,7-11H2,1-4H3/b6-5+/t12-,13+,14-,15+,16+,17-,18+,19-,20+,22-,23-,24+/m1/s1

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InChIKey

YABRKIPLNHWVOR-PLDZJHEOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105345290)

(2R,3R,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4-diol

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