6,11-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-2H-perylo(1,12-def)(1,3)dioxepine-5,12-dione
Basic information
- CAS
127094-74-0- Standard SMILES
COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(CC(C)O)c(c(c1CC(C)O)c24)c65)OCO3- InChIKey
MXLWQNCWIIZUQT-UHFFFAOYSA-N- Molecular formula
- C29H26O10
- Average molar mass
- 534.5 g/mol
- Monoisotopic mass
- 534.15259702
Overview
LSM-1808 is a naphthalenone.
Names & identifiers
- Preferred name
- 6,11-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-2H-perylo(1,12-def)(1,3)dioxepine-5,12-dione
- IUPAC
- 7,19-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione
Names & synonyms
DTXSID009608976,11-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-2H-perylo(1,12-def)(1,3)dioxepine-5,12-dione6,11-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-2H-perylo[1,12-def][1,3]dioxepine-5,12-dioneRefChem:1073543DTXCID201388738CERCOSPORINCercosporin from Cercospora hayii35082-49-640501-77-77,19-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dioneC29H26O10NSC234486
Show more names
Isocercosporiniso-Cercosporin127094-74-06,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperyleno[1,12-def][1,3]dioxepine-5,11-dione(-)-IsocercosporinSCHEMBL6305985CHEMBL1080283SCHEMBL29369377
Database identifiers
- CAS
127094-74-0、40501-77-7- PubChem CID
- 2674
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 988
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…