ISOQUINOLINIUM, 2,2'-[(3-METHYL-1,5-PENTANEDIYL)BIS[OXY(3-OXO-3,1-PROPANEDIYL)]]BIS[1-[(3,4-DIMETHOXYPHENYL)METHYL]]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, (1R,1'R,2R,2'R)-

CAS No.
96946-41-7 ;1193104-79-8
CCD No.
CCD08204779
Formula
C53 H72 N2 O12
MolWeight
929.154

Basic Information

Product Name: ISOQUINOLINIUM, 2,2'-[(3-METHYL-1,5-PENTANEDIYL)BIS[OXY(3-OXO-3,1-PROPANEDIYL)]]BIS[1-[(3,4-DIMETHOXYPHENYL)METHYL]]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, (1R,1'R,2R,2'R)-
CAS: 96946-41-7 ;1193104-79-8
English Synonyms: ISOQUINOLINIUM, 2,2'-[(3-METHYL-1,5-PENTANEDIYL)BIS[OXY(3-OXO-3,1-PROPANEDIYL)]]BIS[1-[(3,4-DIMETHOXYPHENYL)METHYL]]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, (1R,1'R,2R,2'R)- ; ISOQUINOLINIUM, 2,2'-[1,5-PENTANEDIYLBIS[OXY(3-OXO-3,1-PROPANEDIYL)]]BIS[1-[(3,4-DIMETHOXYPHENYL)METHYL]]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, [1R-[1ALPHA,2ALPHA(1'R*,2'R*)]]-
MDL Number.: MFCD07363975
H bond acceptor: 14
H bond donor: 0
Smile: C[N+]1(CCc2cc(c(cc2[C@H]1Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCc5cc(c(cc5[C@H]4Cc6ccc(c(c6)OC)OC)OC)OC)C
InChi: InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54?,55?/m1/s1
InChiKey: InChIKey=YXSLJKQTIDHPOT-XELUXCQFSA-N

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