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(Q105221750)
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Pectachol B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Pectachol
1 reference
based on heuristic
inferred from SMILES
mass
442.235538808
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
7-[[(1R,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
9-epi-Pectachol B
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
7-[[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
7-[(6-Hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl)methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₄O₆
0 references
canonical SMILES
O=C1OC=2C(OC)=C(OCC3C(=C)CCC4C(C)(C)C(O)CCC34C)C(OC)=CC2C=C1
0 references
isomeric SMILES
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1COc1c(OC)cc2ccc(=O)oc2c1OC
0 references
found in taxon
Brocchia cinerea
1 reference
stated in
Sesquiterpene-coumarin ethers and polyacetylenes from Bfrocchia cinerea
Cotula cinerea
2 references
stated in
Sesquiterpene-coumarin ethers and polyacetylenes from Bfrocchia cinerea
stated in
Sesquiterpene-coumarin ethers and polyacetylenes from Bfrocchia cinerea
Agrobacterium rhizogenes
1 reference
stated in
Sesquiterpene lactones in Agrobacterium rhizogenes—Transformed hairy root culture of Lactuca virosa
Rhizobium rhizogenes
1 reference
stated in
Sesquiterpene lactones in Agrobacterium rhizogenes—Transformed hairy root culture of Lactuca virosa
Cotula cinereum
1 reference
stated in
Sesquiterpene-coumarin ethers and polyacetylenes from Bfrocchia cinerea
Identifiers
InChI
InChI=1S/C26H34O6/c1-15-7-9-19-25(2,3)20(27)11-12-26(19,4)17(15)14-31-23-18(29-5)13-16-8-10-21(28)32-22(16)24(23)30-6/h8,10,13,17,19-20,27H,1,7,9,11-12,14H2,2-6H3/t17-,19+,20+,26-/m1/s1
0 references
InChIKey
QISGCNZPAGFKFT-YMIBRCGYSA-N
0 references
PubChem CID
101317805
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QISGCNZPAGFKFT-YMIBRCGYSA-N
UniChem compound ID
96608656
1 reference
stated in
UniChem
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