Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

BC

Summary
Name:BENZO[G]CHRYSENE
Formula:C22 H18 O3
Formal charge:0
Formula weight:330.377 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(11S,12S,13S)-11,12,13,14-tetrahydrobenzo[g]chrysene-11,12,13-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC5c1c(c3c(cc1)c2ccccc2c4ccccc34)CC(O)C5O
SMILES_CANONICALCACTVS3.341O[C@H]1Cc2c(ccc3c4ccccc4c5ccccc5c23)[C@H](O)[C@H]1O
SMILESCACTVS3.341O[CH]1Cc2c(ccc3c4ccccc4c5ccccc5c23)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)c3ccccc3c4c2ccc5c4C[C@@H]([C@@H]([C@H]5O)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)c3ccccc3c4c2ccc5c4CC(C(C5O)O)O
InChIInChI1.03InChI=1S/C22H18O3/c23-19-11-18-17(21(24)22(19)25)10-9-16-14-7-2-1-5-12(14)13-6-3-4-8-15(13)20(16)18/h1-10,19,21-25H,11H2/t19-,21-,22-/m0/s1
InChIKeyInChI1.03GSKJTEFMUWIEJJ-BVSLBCMMSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon