Catalog Number:
AG003946
Chemical Name:
Violanthrone-79
CAS Number:
85652-50-2
Molecular Formula:
C50H48O4
Molecular Weight:
712.9137
MDL Number:
MFCD00491570
IUPAC Name:
30,34-dioctoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione
InChI:
InChI=1S/C50H48O4/c1-3-5-7-9-11-17-27-53-41-29-39-31-19-13-15-21-35(31)49(51)37-25-23-33-34-24-26-38-44-40(32-20-14-16-22-36(32)50(38)52)30-42(54-28-18-12-10-8-6-4-2)48(46(34)44)47(41)45(33)43(37)39/h13-16,19-26,29-30H,3-12,17-18,27-28H2,1-2H3
InChI Key:
LLPQZABTDLOYAL-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc2c3ccccc3C(=O)c3c2c2c1c1c(OCCCCCCCC)cc4c5c1c(c2cc3)ccc5C(=O)c1c4cccc1
