Aldosterone 18-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S,14R,16R)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-18-yl]oxy]oxane-2-carboxylic acid

Also Known As: Aldosterone 18-glucuronide|Aldosterone-18-D-glucuronoside|Aldosterone-18-D-glucosiduronic acid|Aldosterone-18-delta-glucuronoside|KST-1A4671|KST-1A4672|Aldosterone-18-delta-glucosiduronic acid|(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S,14R,16R)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-18-yl]oxy]oxane-2-carboxylic acid|11beta,18-Epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl-beta-D-glucopyranosiduronic acid|(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,14R,16R)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.0^{1,5}.0^{6,15}.0^{9,14}]nonadec-9-en-18-yl]oxy}oxane-2-carboxylic acid|(8xi,9xi,11|A,13xi,14xi)-21-hydroxy-3,20-dioxo-11,18-epoxypregn-4-en-18-yl |A-d-glucopyranosiduronic acid|11beta,18-Epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl-beta-delta-glucopyranosiduronic acid|21-Hydroxy-3,20-dioxo-11,18-epoxypregn-4-en-18-yl hexopyranosiduronic acid|(8xi,9xi)-21-Hydroxy-3,20-dioxo-11alpha,13xi,14xi-11,18-epoxypregn-4-en-18-yl beta-D-glucopyranosiduronic acid

Molecular Formula	C27H36O11
Molecular Weight	536.22577 g/mol
LogP	-0.1
Topological Polar Surface Area	180.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	536.22577
Monoisotopic Mass	536.22577
Heavy Atoms	38
Complexity	1060.0

Chemical Identifiers

CAS Number	40786-99-0
SMILES	C[C@]12CCC(=O)C=C1CCC3C2[C@H]4CC5(C3CC[C@@H]5C(=O)CO)C(O4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
InChIKey	OMRIQCUHVVBJKI-ACOLCOCVSA-N