Cas no 564-16-9 (11-Deoxo-18beta-glycyrrhetic acid)
564-16-9 structure
Product Name:11-Deoxo-18beta-glycyrrhetic acid
CAS No:564-16-9
MF:C30H48O3
MW:456.700329780579
CID:38373
PubChem ID:12305517
Update Time:2025-04-18
11-Deoxo-18beta-glycyrrhetic acid Chemical and Physical Properties
Names and Identifiers
-
- 11-Deoxo-18beta-glycyrrhetic acid
- (3beta,20beta)-3-Hydroxy-olean-12-en-29-oic acid
- (2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
- 11-Deoxoglycyrrhetinic acid
- (3beta,18alpha)-3-hydroxyolean-12-en-29-oic acid
- 11-Deoxoglycyrrhetic acid
- (2S,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
- (3beta,20beta)-3-hydroxyolean-12-en-29-oic acid
- BDBM50346605
- 11-Deoxyglycyrrhetinic acid
- 3-Hydroxy-(3beta,20beta)-Olean-12-en-29-oic acid
- (2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
- Anaphalisoleanenoic acid
- CHEBI:168602
- CHEMBL487933
- 11-Deoxo-18beta-glycyrrhetinic acid
- 11-deoxy glycyrrhetinic acid
- 11-Desoxoglycyrrhetinsaure
- 564-16-9
- SCHEMBL1785482
- Olean-12-en-30-oic acid, 3beta-hydroxy- (8CI)
- 3alpha-hydroxyolean-12-en-30-oic acid
- LMPR0106150016
- CHEMBL482798
- DTXSID40348372
- HY-169739
- ARD193990
- DG 381B
- 11-DOGA
-
- Inchi： 1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1
- InChI Key： JZFSMVXQUWRSIW-BTJIZOSBSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC[C@@H]12
Computed Properties
- Exact Mass: 456.36
- Monoisotopic Mass: 456.36
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 33
- Rotatable Bond Count: 1
- Complexity: 889
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5A^2
- XLogP3: 7.5
Experimental Properties
- Density: 1.1
- Boiling Point: 552.7°Cat760mmHg
- Flash Point: 302.1°C
- Refractive Index: 1.557
- PSA: 57.53000
- LogP: 7.23360
11-Deoxo-18beta-glycyrrhetic acid Related Literature
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Lloyd W. Sumner,Zhentian Lei,Basil J. Nikolau,Kazuki Saito Nat. Prod. Rep. 2015 32 212
-
Jianping Yong,Canzhong Lu,Xiaoyuan Wu Med. Chem. Commun. 2014 5 968
-
Yanlin Li,Jing Wang,Linyong Li,Wenhui Song,Min Li,Xin Hua,Yu Wang,Jifeng Yuan,Zheyong Xue Nat. Prod. Rep. 2023 40 1303
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