Miophytocen B
-
Formula: C29H38O8
-
Molecular weight: 514.60
-
Smiles: CC1=CC(=O)OCC23CCC(=C)C4C2OC5CC(C3(C5(C4)O)C)OC(=O)C=CC=CC(OCC1)C(C)O
-
Type: Trichothecene
Miophytocen B
Names
-
Mycotoxin name: Miophytocen B
-
First synonym: None
-
Synonyms: Miophytocen B,17P5P956W7,UNII-17P5P956W7,Miophytocen A, 9,16-didehydro-8,9-dihydro-,99764-48-4,16,18:17,20-Dimethano-1H,3H,21H-(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyran-3,14(9H)-dione, 6,7,16,16a,17,18,19a,20,22,23-decahydro-17-hydroxy-9-(1-hydroxyethyl)-5,16a-dimethyl-21-methylene-, (9R-(4E,9R*(R*),10E,12Z,16R*,16as*,17R*,18R*,19ar*,2,16,18:17,20-DIMETHANO-1H,3H,21H-(1,6,12)TRIOXACYCLOOCTADECINO(3,4-D)(1)BENZOPYRAN-3,14(9H)-DIONE, 6,7,16,16A,17,18,19A,20,22,23-DECAHYDRO-17-HYDROXY-9-(1-HYDROXYETHYL)-5,16A-DIMETHYL-21-METHYLENE-, (9R-(4E,9R*(R*),10E,12Z,16R*,16AS*,17R*,18R*,19AR*,20R*,23AR*))-,(1R,2S,3R,6Z,8E,10R,14E,19R,23R,24R,26R)-1-hydroxy-10-((1R)-1-hydroxyethyl)-2,14-dimethyl-22-methylidene-4,11,17,25-tetraoxapentacyclo(21.3.1.13,26.02,19.019,24)octacosa-6,8,14-triene-5,16-dione,(1R,2S,3R,6Z,8E,10R,14E,19R,23R,24R,26R)-1-hydroxy-10-[(1R)-1-hydroxyethyl]-2,14-dimethyl-22-methylidene-4,11,17,25-tetraoxapentacyclo[21.3.1.13,26.02,19.019,24]octacosa-6,8,14-triene-5,16-dione,Q27896937
Identifiers / External links
-
CAS: 99764-48-4
-
PubChem CID: 14353782
-
ChemSpiderID: 58828517
-
US FDA (UNII): UNII-17P5P956W7
-
Wikidata (wiki): Q27896937
Structure
-
Smiles: CC1=CC(=O)OCC23CCC(=C)C4C2OC5CC(C3(C5(C4)O)C)OC(=O)C=CC=CC(OCC1)C(C)O
-
Isomeric smiles: C/C/1=C\C(=O)OC[C@]23CCC(=C)[C@@H]4[C@H]2O[C@@H]5C[C@H]([C@]3([C@@]5(C4)O)C)OC(=O)/C=C\C=C\[C@@H](OCC1)[C@@H](C)O
-
Inchi: InChI=1S/C29H38O8/c1-17-10-12-34-21(19(3)30)7-5-6-8-24(31)36-22-14-23-29(33)15-20-18(2)9-11-28(26(20)37-23,27(22,29)4)16-35-25(32)13-17/h5-8,13,19-23,26,30,33H,2,9-12,14-16H2,1,3-4H3/b7-5+,8-6-,17-13+/t19-,20-,21-,22-,23-,26-,27-,28-,29+/m1/s1
-
Inchikey: JNVNAJOQNUCFMY-QZANRFNGSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C29H38O8
-
Molecular weight: 514.60
-
Monoisotopic mass: 514.25666817
Select an endpoint:
Select an endpoint:
Select an endpoint:
Select an endpoint:
Fungi
-
Fungi id Species 658 Myrothecium verrucaria