Catalog Number:
AG001MWF
Chemical Name:
β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl, sodium salt (1:1)
CAS Number:
15087-06-6
Molecular Formula:
C24H31NaO9
Molecular Weight:
486.4873
MDL Number:
MFCD00056545
IUPAC Name:
6-[(16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;sodium
InChI:
InChI=1S/C24H32O9.Na/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29;/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31);
InChI Key:
OMEVKFHIFIXRHB-UHFFFAOYSA-N
SMILES:
O[C@@H]1[C@@H](O)[C@H](Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]([C@@H]3O)O)C)O[C@@H]([C@H]1O)C(=O)[O-].[Na+]
