AG00IA60

5697-56-3 | Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-,(3b,20b)-

AG00IA60

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CAS Number	5697-56-3
Catalog Number	AG00IA60(AGN-PC-0SMUCP)
Chemical Name	Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-,(3b,20b)-
EC Number	227-174-2
IUPAC Name	(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
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
InChI Key	OBZHEBDUNPOCJG-WBXJDKIVSA-N
MDL Number	MFCD20926283
Molecular Formula	C34H50O7
Molecular Weight	570.7566
SMILES	C(=O)(O)CCC(=O)O[C@@H]1C([C@@H]2CC[C@]3([C@@]4(CC[C@]5(CC[C@@](C[C@H]5C4=CC([C@@H]3[C@]2(CC1)C)=O)(C(=O)O)C)C)C)C)(C)C
UNII	MM6384NG73
Synonyms	18alpha Carbenoxolone, 18alpha Glycyrrhetinic Acid 3beta O Hemisuccinate, 18alpha-Carbenoxolone, 18alpha-Glycyrrhetinic Acid 3beta-O-Hemisuccinate, 3-O-hemisuccinate, Glycyrrhetinic Acid, 3beta-O-Hemisuccinate, 18alpha-Glycyrrhetinic Acid, Acid 3-O-hemisuccinate, Glycyrrhetinic, Acid 3beta-O-Hemisuccinate, 18alpha-Glycyrrhetinic, Biogastrone, Bioral, Carbeneoxolone, Carbenoxalone, Carbenoxolone, Carbenoxolone Disodium Salt, Carbenoxolone Sodium, Carbosan, Duogastrone, Glycyrrhetinic Acid 3 O hemisuccinate, Glycyrrhetinic Acid 3-O-hemisuccinate, Pharmaxolon, Sanodin, carbenoxolone, 5697-56-3, UNII-MM6384NG73, OBZHEBDUNPOCJG-WBXJDKIVSA-N, MM6384NG73, Carbenoxolone [INN:BAN], Carbenoxolonum [INN-Latin], Carbenoxolona [INN-Spanish], Carbenoxolona, Carbenoxolonum, EINECS 227-174-2, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid, CBO, 3beta-Hydroxy-11-oxoolean-12-en-30-saeure hydogensuccinat, 3beta-(3-Carboxypropionyloxy)-11-oxo-olean-12-en-30-saeure, 3-beta-(3-Carboxypropionyloxy)-11-oxo-olean-12-en-30-oic acid, Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3.beta.,20.beta.)-, Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3beta,20beta)-, Carbenoxolone (INN), Prestwick0_000837, Prestwick1_000837, Prestwick2_000837, Prestwick3_000837, AC1LCS68, SCHEMBL76013, BSPBio_000793, SPBio_002714, BPBio1_000873, CHEMBL499915, GTPL4151, DTXSID4022733, Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, hydrogen succinate, BCP29160, ZINC3977823, BDBM50247012, AKOS015951361, AKOS016036240, DB02329, AB1009515, 3beta-O-Succinyl-18-beta-glycyrrhetinic acid, D07615, BRD-K12765235-304-03-8, 3.beta.-Hydroxy-11-oxoolean-12-en-30-oic acid 3-hemisuccinate, (3beta)-3-[(3-carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid, (3beta,5beta,10alpha,14beta)-3-[(3-carboxypropanoyl)oxy]-11-oxoolean-12-en-29-oic acid, Glycyrrhetinic acid hydrogen succinate; 3|A-Hydroxy-11-oxoolean-12-en-30-oic acid hydrogen succinate, Biogastrone, Bioral, Carbeneoxolone, Carbenoxalone, Duogastrone, Pharmaxolon, Carbosan, Sanodin, Carbenoxolone disodium, 18alpha Carbenoxolone, 18alpha-Carbenoxolone, Carbenoxolone disodium salt, CARBENOXOLONE SODIUM, D0L4VR, C34H50O7, CID636403, Glycyrrhetinic Acid 3 O hemisuccinate, Glycyrrhetinic Acid 3-O-hemisuccinate, Glycyrrhetinic acid hydrogen succinate, 3-O-hemisuccinate, Glycyrrhetinic Acid, Acid 3-O-hemisuccinate, Glycyrrhetinic, C34-H50-O7, 18alpha Glycyrrhetinic Acid 3beta O Hemisuccinate, 18alpha-Glycyrrhetinic Acid 3beta-O-Hemisuccinate, D002229, 3beta-O-Hemisuccinate, 18alpha-Glycyrrhetinic Acid, Acid 3beta-O-Hemisuccinate, 18alpha-Glycyrrhetinic, (3beta,20beta)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid, 3-beta-hydroxy-11-oxoolean-12-en-30-oic acid hydrogen succinate, Olean-12-en-30-oic acid, 3.beta.-hydroxy-11-oxo-, hydrogen succinate, (3-beta,20-beta)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid, 79404-91-4,

Complexity	1200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	570.356g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	570.767g/mol
Monoisotopic Mass	570.356g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

Lot Number