Cas no 20605-81-6 (b-D-Glucopyranosiduronic acid, (3a,5b,11b)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl (9CI))
20605-81-6 structure
Product Name:b-D-Glucopyranosiduronic acid, (3a,5b,11b)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl (9CI)
CAS No:20605-81-6
MF:C27H40O11
MW:540.59990978241
CID:278340
PubChem ID:167918
Update Time:2025-04-19
b-D-Glucopyranosiduronic acid, (3a,5b,11b)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranosiduronic acid, (3a,5b,11b)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl (9CI)
- Q27160648
- CHEBI:88728
- Tetrahydroaldosterone-3-glucuronoside
- beta-D-Glucopyranosiduronic acid, (3alpha,5beta,11beta)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl
- Tetrahydroaldosterone-3-glucuronide
- Tetrahydroaldosterone 3 Beta-glucosiduronic Acid
- 20605-81-6
- TA-GA
- Tetrahydroaldosterone 3beta-glucosiduronic acid
- (3alpha,5beta,11beta)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl-beta-D-Glucopyranosiduronic acid
- (3alpha,5beta,11beta)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl-beta-delta-Glucopyranosiduronic acid
- (2S, 3S, 4R, 5R, 6R)-3, 4, 5-trihydroxy-6-[[(2S, 14S, 16S)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01, 5.06, 15.09, 14]nonadecan-11-yl]oxy]oxane-2-carboxylic acid
- 11beta,18-Epoxy-18,21-dihydroxy-20-oxo-5beta-pregnan-3alpha-yl beta-delta-glucopyranosiduronic acid
- 11beta,18-Epoxy-18,21-dihydroxy-20-oxo-5beta-pregnan-3alpha-yl beta-D-glucopyranosiduronic acid
- LMST05010067
- (2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2S,14S,16S)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-11-yl]oxy]oxane-2-carboxylic acid
- DTXSID00942794
- (2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-{[(2S,14S,16S)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.0^{1,5}.0^{6,15}.0^{9,14}]nonadecan-11-yl]oxy}oxane-2-carboxylic acid
- 18,21-Dihydroxy-20-oxo-11,18-epoxypregnan-3-yl hexopyranosiduronic acid
-
- Inchi： 1S/C27H40O11/c1-26-7-6-12(36-24-21(32)19(30)20(31)22(38-24)23(33)34)8-11(26)2-3-13-14-4-5-15(16(29)10-28)27(14)9-17(18(13)26)37-25(27)35/h11-15,17-22,24-25,28,30-32,35H,2-10H2,1H3,(H,33,34)/t11?,12?,13?,14?,15-,17+,18?,19-,20+,21-,22+,24-,25?,26+,27?/m1/s1
- InChI Key： CGIURIOFMWUPSV-RUQPETGGSA-N
- SMILES： O1C(C23[C@@H](C(CO)=O)CCC2C2CCC4CC(CC[C@]4(C)C2[C@@H]1C3)O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)O
Computed Properties
- Exact Mass: 540.257062
- Monoisotopic Mass: 540.257062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 38
- Rotatable Bond Count: 5
- Complexity: 959
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 183
- XLogP3: 0.8
Experimental Properties
- Density: 1.49
- Boiling Point: 783°Cat760mmHg
- Flash Point: 259.6°C
- Refractive Index: 1.632
b-D-Glucopyranosiduronic acid, (3a,5b,11b)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl (9CI) Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid glucuronide conjugates
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Steroid glucuronide conjugates
20605-81-6 (b-D-Glucopyranosiduronic acid, (3a,5b,11b)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl (9CI)) Related Products
- 3602-09-3(b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoandrostan-3-yl)
- 1852-43-3(b-D-Glucopyranosiduronic acid, (3a,5a)-17-oxoandrostan-3-yl)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
