80433-81-4
(-)-(1S,2R,3R,4S)-3,4-DIHYDROXY-1,2-EPOXY-1,2,3,4-TETRAHYDROBENZ(A)ANTHRACENE
Name(-)-(1S,2R,3R,4S)-3,4-DIHYDROXY-1,2-EPOXY-1,2,3,4-TETRAHYDROBENZ(A)ANTHRACENE
1Identification
【Name】
(-)-(1S,2R,3R,4S)-3,4-DIHYDROXY-1,2-EPOXY-1,2,3,4-TETRAHYDROBENZ(A)ANTHRACENE
【CAS】
【MDL】
MFCD01668073
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H14 O3
【pro_molWeight】
278.306
【Inchi】
InChI=1S/C18H14O3/c19-15-12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)17-18(21-17)16(15)20/h1-8,15-20H/t15-,16+,17-,18+/m0/s1
【InChIKey】
InChIKey=JNQSJMYLVFOQBK-XWTMOSNGSA-N
【SMILES】
c1ccc2cc3c(ccc4c3[C@H]5[C@H](O5)[C@@H]([C@H]4O)O)cc2c1
【MOL File】
(-)-(1S,2R,3R,4S)-3,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:3
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(-)-(1S,2R,3R,4S)-3,4-DIHYDROXY-1,2-EPOXY-1,2,3,4-TETRAHYDROBENZ(A)ANTHRACENE.cml