INI-0602

CAS No.
1204185-14-7
CCD No.
CCD07498811
Formula
C37 H52 N O5 . I
MolWeight
717.72

Basic Information

Product Name: INI-0602
CAS: 1204185-14-7
English Synonyms: INI-0602
MDL Number.: MFCD22572485
H bond acceptor: 6
H bond donor: 1
Smile: CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)c4ccc[n+](c4)C)C)C(=O)C=C5[C@]3(CC[C@@]6([C@H]5C[C@@](CC6)(C)C(=O)O)C)C)C)C.[I-]
InChi: InChI=1S/C37H51NO5.HI/c1-32(2)27-11-14-37(7)29(35(27,5)13-12-28(32)43-30(40)23-10-9-19-38(8)22-23)26(39)20-24-25-21-34(4,31(41)42)16-15-33(25,3)17-18-36(24,37)6;/h9-10,19-20,22,25,27-29H,11-18,21H2,1-8H3;1H/t25-,27-,28-,29+,33+,34-,35-,36+,37+;/m0./s1
InChiKey: InChIKey=YMRTUAIEWLBXOH-KYDWDQQTSA-N

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