(Q105199153)

English

(2R,3R,4S,5S,6R)-2-[[(1S,2S,3S,6R)-2-hydroxy-6-[(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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

megastigmane

0 references

mass

404.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5S,6R)-2-[[(1S,2S,3S,6R)-2-hydroxy-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

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₁₉H₃₂O₉

0 references

canonical SMILES

OCC1OC(OC2CC(C)(C)C3(OC3(C)C2O)C=CC(O)C)C(O)C(O)C1O

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isomeric SMILES

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

Cardamine komarovii

1 reference

stated in

Three new megastigmane glucopyranosides from the Cardamine komarovii

Identifiers

InChI

InChI=1S/C19H32O9/c1-9(21)5-6-19-17(2,3)7-10(15(25)18(19,4)28-19)26-16-14(24)13(23)12(22)11(8-20)27-16/h5-6,9-16,20-25H,7-8H2,1-4H3/t9-,10-,11+,12+,13-,14+,15-,16+,18-,19+/m0/s1

0 references

InChIKey

OSOVVCPVEQJCEH-WFLIPHAMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OSOVVCPVEQJCEH-WFLIPHAMSA-N

(Q105199153)

(2R,3R,4S,5S,6R)-2-[[(1S,2S,3S,6R)-2-hydroxy-6-[(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

Statements

Identifiers

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