Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:57:15 UTC
Update Date2022-08-31 06:23:40 UTC
Metabolite IDMMDBc0005320
Metabolite Identification
Common Name10-Phenyl-[12]-cytochalasins Z16
Description10-Phenyl-[12]-cytochalasin Z16 belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole. Based on a literature review very few articles have been published on 10-Phenyl-[12]-cytochalasin Z16.
Structure
Synonyms
ValueSource
10-Phenyl-(12)-cytochalasins Z16MeSH
Molecular FormulaC28H33NO5
Average Mass463.574
Monoisotopic Mass463.235873167
IUPAC Name(7S,11S,13S,13aS,14S,16aR,16bS)-14-benzyl-11,16-dihydroxy-5,7,13-trimethyl-12-methylidene-2H,3H,6H,7H,8H,11H,12H,13H,13aH,14H,16bH-oxacyclododeca[3,2-e]isoindole-2,6-dione
Traditional Name(7S,11S,13S,13aS,14S,16aR,16bS)-14-benzyl-11,16-dihydroxy-5,7,13-trimethyl-12-methylidene-3H,7H,8H,11H,13H,13aH,14H,16bH-oxacyclododeca[3,2-e]isoindole-2,6-dione
CAS Registry NumberNot Available
SMILES
[H]\C1=C([H])\[C@@]2([H])[C@]([H])(O)C(=C)[C@@]([H])(C)[C@@]3([H])[C@]([H])(CC4=CC=CC=C4)N=C(O)[C@]23OC(=O)C\C([H])=C(C)/C(=O)[C@@]([H])(C)C1
InChI Identifier
InChI=1S/C28H33NO5/c1-16-9-8-12-21-26(32)19(4)18(3)24-22(15-20-10-6-5-7-11-20)29-27(33)28(21,24)34-23(30)14-13-17(2)25(16)31/h5-8,10-13,16,18,21-22,24,26,32H,4,9,14-15H2,1-3H3,(H,29,33)/b12-8-,17-13-/t16-,18+,21-,22-,24-,26+,28-/m0/s1
InChI KeyXIWMGCLILBQGSO-WPAPTHEOSA-N