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(Q106054756)
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English
(3E)-1-hydroxy-4-[(1R)-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl beta-D-glucopyranoside
chemical compound
methyl 4,6-di-O-acetyl-beta-D-galactopyranoside
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Statements
instance of
type of chemical entity
0 references
subclass of
megastigmane
1 reference
based on heuristic
inferred from SMILES
mass
386.1940679199999
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4R)-4-[(E,3R)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4S)-4-[(E,3R)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4R)-4-[(E,3R)-4-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₃₀O₈
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CC(=O)CC(C)(C)C1C=CC(CO)OC1OC(CO)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC(=O)CC(C)(C)[C@H]1/C=C/C(CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H30O8/c1-10-6-11(22)7-19(2,3)13(10)5-4-12(8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h4-6,12-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t12?,13-,14+,15+,16-,17+,18+/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
PYYCXUBJCCEGKB-SNPWQJEQSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
16081697
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
PYYCXUBJCCEGKB-SNPWQJEQSA-N
ChEBI ID
139451
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H30O8/c1-10-6-11(22)7-19(2,3)13(10)5-4-12(8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h4-6,12-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t12?,13-,14+,15+,16-,17+,18+/m0/s1
UniChem compound ID
23539933
1 reference
stated in
UniChem
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