GLYCYRRHETINIC ACID

CAS No.
471-53-4 ;10379-72-3
CCD No.
CCD00003585
Formula
C30 H46 O4
MolWeight
470.689

Basic Information

Product Name: GLYCYRRHETINIC ACID
CAS: 471-53-4 ;10379-72-3
English Synonyms: ENOXOLONE ; 18B-GLYCYRRHETINIC ACID ; GLYCYRRHETINIC ACID ; 18-BETA-GLYCYRRHETINIC ACID, ; 18 Β-GLYCYRRHETINTIC ACID ; 18-BETA-GLYCYRRHETIC ACID ; (2S,4AS,6AS,6BR,8AR,10S,12AS,12BR,14BR)-10-HYDROXY-2,4A,6A,6B,9,9,12A-HEPTAMETHYL-13-OXO-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDRO-PICENE-2-CARBOXYLIC ACID ; 18B-GLYCYRRHETIC ACID ; (3BETA,20B)-3-HYDROXY-11-OXO-OLEAN-12-EN-29-OIC ACID ; 3BETA-HYDROXY-11-OXO-18BETA,20BETA-OLEAN-12-EN-29-OIC ACID ; B-GLYCYRRNETINIC ACID ; GLYCYRRHETINIC ACID, 18B- ; URALENIC ACID ; GLYCYRRHETIC ACID ; 18-BETA-GLYCYRRHETIC ACID, URALENIC ACID ; 18Β-GLYCYRRHETINIC ACID ; 18-BETA-GLYCYRRHETINIC ACID
MDL Number.: MFCD00003706
H bond acceptor: 4
H bond donor: 2
Smile: CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)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/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
InChiKey: InChIKey=MPDGHEJMBKOTSU-YKLVYJNSSA-N

Property

Melting Point: 292-295 DEG C(LIT)/292-295 °C
Comments: OPTICAL ACTIVITY: [ALPHA]22/D +170.0 DEG, C = 1 IN CHLOROFORM
RTECS: RK0180000
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H302-H319
Precautionary statements: P305 + P351 + P338
hazard symbol: Xn
Risk Code: R:22-36
Safe Code: S:22-24/25
WGK Germany: 3

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