CARBENOXOLONE ,5697-56-3 _Chemical Cloud Database

CARBENOXOLONE

Basic Information
Product Name：	CARBENOXOLONE
CAS：	5697-56-3
English Synonyms：	3-BETA-(3-CARBOXYPROPIONYLOXY)-11-OXO-OLEAN-12-EN-30-OIC ACID ; BIOGASTRONE ; (3BETA,20BETA)-3-(3-CARBOXY-1-OXOPROPOXY)-11-OXOOLEAN-12-EN-29-OIC ACID ; BIORAL ; OLEAN-12-EN-29-OIC ACID, 3-(3-CARBOXY-1-OXOPROPOXY)-11-OXO-, (3B,20B)- ; CARBENOXOLONE
MDL Number.：	MFCD20926283
H bond acceptor：	7
H bond donor：	2
Smile：	CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C
InChi：	InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
InChiKey：	InChIKey=OBZHEBDUNPOCJG-WBXJDKIVSA-N
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