RP 1551-M1
-
Formula: C26H31ClO6
-
Molecular weight: 475.00
-
Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C3(C(C2=CO1)C4C(=O)OC(CC4(O3)OC)C)C)Cl
RP 1551-M1
Names
-
Mycotoxin name: RP 1551-M1
-
First synonym: Antibiotic
-
Synonyms: RP-1551-M1,(1S,10S,12S,14S,17R)-8-chloro-5-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-12-methoxy-10,14-dimethyl-4,11,15-trioxatetracyclo[8.7.0.02,7.012,17]heptadeca-2,5,7-triene-9,16-dione,(1S,10S,12S,14S,17R)-8-chloro-5-((1E,3E)-3,5-dimethylhepta-1,3-dienyl)-12-methoxy-10,14-dimethyl-4,11,15-trioxatetracyclo(8.7.0.02,7.012,17)heptadeca-2,5,7-triene-9,16-dione,CHEBI:220908
Identifiers / External links
-
PubChem CID: 139588872
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:220908
Structure
-
Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C3(C(C2=CO1)C4C(=O)OC(CC4(O3)OC)C)C)Cl
-
Isomeric smiles: CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)[C@H]4C(=O)O[C@H](C[C@@]4(O3)OC)C)C)Cl
-
Inchi: InChI=1S/C26H31ClO6/c1-7-14(2)10-15(3)8-9-17-11-18-19(13-31-17)20-21-24(29)32-16(4)12-26(21,30-6)33-25(20,5)23(28)22(18)27/h8-11,13-14,16,20-21H,7,12H2,1-6H3/b9-8+,15-10+/t14?,16-,20+,21-,25-,26-/m0/s1
-
Inchikey: WRMZZWDEIVOQIO-OFEQBVMNSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C26H31ClO6
-
Molecular weight: 475.00
-
Monoisotopic mass: 474.1809164
Select an endpoint:
Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Endpoint | Tool | Value | Unit | Comments | Reference |
---|
Fungi
-
Fungi id Species