(Q105255811)

English

(2R,3R,4S,5S,6R)-2-[[(1S,3S,6R)-6-[(3R)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside

1 reference

1 reference

2-[[6-(3-Hydroxybut-1-enyl)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

388.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5S,6R)-2-[[(1R,3S,6S)-6-[(E,3R)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,4S,5R,6R)-2-[[(1R,3R,6S)-6-[(E,3S)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

1 reference

(2R,3R,4S,5S,6R)-2-[[(1S,3S,6R)-6-[(E,3R)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2S,3S,4R,5R,6R)-2-[[(1R,3R,6S)-6-[(E,3R)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₂O₈

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canonical SMILES

OCC1OC(OC2CC3(OC3(C=CC(O)C)C(C)(C)C2)C)C(O)C(O)C1O

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isomeric SMILES

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

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found in taxon

Chimonanthus praecox

1 reference

stated in

Constituents from Chimonanthus praecox (wintersweet)

Identifiers

InChI

InChI=1S/C19H32O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,10-16,20-24H,7-9H2,1-4H3/t10-,11+,12-,13-,14+,15-,16-,18+,19-/m1/s1

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InChIKey

SMBCGBWABYMHIN-PYOGVJGWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SMBCGBWABYMHIN-PYOGVJGWSA-N

(Q105255811)

(2R,3R,4S,5S,6R)-2-[[(1S,3S,6R)-6-[(3R)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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