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(Q105102548)
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English
Merocyclophane D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8,19-Bis(4-hydroxybutyl)-2,13-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol
1 reference
based on heuristic
inferred from SMILES
mass
584.407689512
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₆H₅₆O₆
0 references
canonical SMILES
OC=1C=C2C=C(O)C1C(CCCCO)CCCCCC(C3=CC(O)=C(C(O)=C3)C(CCCCO)CCCCCC2C)C
0 references
isomeric SMILES
C[C@@H]1CCCCC[C@H](CCCCO)c2c(O)cc(cc2O)[C@H](C)CCCCC[C@H](CCCCO)c2c(O)cc1cc2O
0 references
found in taxon
Nostoc
2 references
stated in
Merocyclophanes C and D from the Cultured Freshwater Cyanobacterium Nostoc sp. (UIC 10110).
stated in
Merocyclophanes C and D from the Cultured Freshwater Cyanobacterium Nostoc sp. (UIC 10110).
Identifiers
InChI
InChI=1S/C36H56O6/c1-25-13-5-3-7-15-28(18-10-12-20-38)36-33(41)23-30(24-34(36)42)26(2)14-6-4-8-16-27(17-9-11-19-37)35-31(39)21-29(25)22-32(35)40/h21-28,37-42H,3-20H2,1-2H3/t25-,26-,27-,28-/m1/s1
0 references
InChIKey
CGYZQENMSDXRIW-BIYDSLDMSA-N
0 references
PubChem CID
132967469
1 reference
matched by identifier from
InChIKey
InChIKey
CGYZQENMSDXRIW-BIYDSLDMSA-N
ChEBI ID
218447
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C36H56O6/c1-25-13-5-3-7-15-28(18-10-12-20-38)36-33(41)23-30(24-34(36)42)26(2)14-6-4-8-16-27(17-9-11-19-37)35-31(39)21-29(25)22-32(35)40/h21-28,37-42H,3-20H2,1-2H3/t25-,26-,27-,28-/m1/s1
UniChem compound ID
164590288
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501046830
1 reference
matched by identifier from
InChIKey
InChIKey
CGYZQENMSDXRIW-BIYDSLDMSA-N
Natural Product Atlas ID
NPA020073
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CGYZQENMSDXRIW-BIYDSLDMSA-N
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