6-beta-Hydroxycortisol 21-O-beta-D-Glucuronide

Product Specifications

Hazard Statement

No Data Available

Smiles

C[C@]12CCC(=O)C=C1[C@H](O)C[C@H]3[C@@H]4CC[C@](O)(C(=O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)[C@@]4(C)C[C@H](O)C23

Molecular Formula

C27 H38 O12

Molecular Weight

554.583

InChI

InChI=1S/C27H38O12/c1-25-5-3-11(28)7-14(25)15(29)8-12-13-4-6-27(37,26(13,2)9-16(30)18(12)25)17(31)10-38-24-21(34)19(32)20(33)22(39-24)23(35)36/h7,12-13,15-16,18-22,24,29-30,32-34,37H,3-6,8-10H2,1-2H3,(H,35,36)/t12-,13-,15+,16-,18?,19-,20-,21+,22-,24+,25-,26-,27-/m0/s1

Additionnal Information

IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-oxo-2-[(6R,8S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]oxane-2-carboxylic acid