(4AR,6AR,6BS,8AR,12AR,14BR)-METHYL 11-CYANO-2,2,6A,6B,9,9,12A-HEPTAMETHYL-10,14-DIOXO-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,12A,14,14A,14B-OCTADECAHYDROPICENE-4A-CARBOXYLATE

CAS No.
218600-53-4
CCD No.
CCD07366113
Formula
C32 H43 N O4
MolWeight
505.695

Basic Information

Product Name: (4AR,6AR,6BS,8AR,12AR,14BR)-METHYL 11-CYANO-2,2,6A,6B,9,9,12A-HEPTAMETHYL-10,14-DIOXO-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,12A,14,14A,14B-OCTADECAHYDROPICENE-4A-CARBOXYLATE
CAS: 218600-53-4
English Synonyms: (4AS,6AR,6BS,8AR,12AS,14BS)-METHYL 11-CYANO-2,2,6A,6B,9,9,12A-HEPTAMETHYL-10,14-DIOXO-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,12A,14,14A,14B-OCTADECAHYDROPICENE-4A-CARBOXYLATE ; (4AR,6AR,6BS,8AR,12AR,14BR)-METHYL 11-CYANO-2,2,6A,6B,9,9,12A-HEPTAMETHYL-10,14-DIOXO-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,12A,14,14A,14B-OCTADECAHYDROPICENE-4A-CARBOXYLATE ; BARDOXOLONE METHYL
MDL Number.: MFCD22377754
H bond acceptor: 5
H bond donor: 0
Smile: CC1(CC[C@]2(CC[C@@]3(C([C@H]2C1)C(=O)C=C4[C@]3(CC[C@@H]5[C@]4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)OC)C
InChi: InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22+,24?,29-,30-,31-,32-/m1/s1
InChiKey: InChIKey=WPTTVJLTNAWYAO-SHPFTRIMSA-N

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