CDDO 孤儿药 ,218600-53-4 _化学云数据库

CDDO 孤儿药

基本信息
产品名称：	CDDO 孤儿药
CAS：	218600-53-4
中文同义词：	CDDO 孤儿药
英文同义词：	RTA 402 ; BARDOXOLONE METHYL ESTER ; (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 ; OLEANA-1,9(11)-DIEN-28-OIC ACID, 2-CYANO-3,12-DIOXO-, METHYL ESTER ; BARDOXOLONE METHYL ; CDDO METHYL ESTER ; 2-CYANO-3,12-DIOXOOLEAN-1,9(11)-DIEN-28-OIC ACID METHYL ESTER ; 2-CYANO-3,12-DIOXO-OLEANA-1,9(11)-DIEN-28-OIC ACID METHYL ESTER ; CDDO-ME ; (4AS,6AR,6BS,8AR,12AS,14AR,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
MDL号：	MFCD11983137
氢键受体数量：	5
氢键供体数量：	0
Smile：	CC1(CC[C@@]2(CC[C@@]3([C@@H]([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-/m0/s1
InChiKey：	InChIKey=WPTTVJLTNAWYAO-KPOXMGGZSA-N

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