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(Q105337660)
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Kotolactone B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3a-methyl-6-tetradecylidene-2-tridecyl-6aH-furo[2,3-d][1,3]dioxol-5-one
1 reference
based on heuristic
inferred from SMILES
mass
520.4491604
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Kotolactone A
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R,3aR,6Z,6aS)-3a-methyl-6-tetradecylidene-2-tridecyl-6aH-furo[2,3-d][1,3]dioxol-5-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₃H₆₀O₄
0 references
canonical SMILES
O=C1OC2(OC(OC2C1=CCCCCCCCCCCCCC)CCCCCCCCCCCCC)C
0 references
isomeric SMILES
CCCCCCCCCCCCC/C=C1/C(=O)O[C@@]2(C)O[C@@H](CCCCCCCCCCCCC)O[C@@H]12
0 references
found in taxon
Cinnamomum kotoense
2 references
stated in
Antitubercular constituents from the stem wood of Cinnamomum kotoense
stated in
Antitubercular constituents from the stem wood of Cinnamomum kotoense
Identifiers
InChI
InChI=1S/C33H60O4/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33(3,37-32(29)34)36-30(35-31)28-26-24-22-20-17-15-13-11-9-7-5-2/h27,30-31H,4-26,28H2,1-3H3/b29-27+/t30-,31-,33+/m0/s1
0 references
InChIKey
XOBIKJVESDPFSM-OYQBLGGWSA-N
0 references
PubChem CID
11627777
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XOBIKJVESDPFSM-OYQBLGGWSA-N
UniChem compound ID
33139612
1 reference
stated in
UniChem
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