5ALPHA-ANDROSTAN-3BETA-OL-17-ONE 3(O->1BETA)-D-GLUCOPYRANOSIDURONIC ACID SODIUM

CAS No.
CCD No.
CCD00120438
Formula
C25 H37 O8 . Na
MolWeight
488.549

Basic Information

Product Name: 5ALPHA-ANDROSTAN-3BETA-OL-17-ONE 3(O->1BETA)-D-GLUCOPYRANOSIDURONIC ACID SODIUM
English Synonyms: ISOANDROSTERONE GLUCURONIDE SODIUM ; 5ALPHA-ANDROSTAN-3BETA-OL-17-ONE 3(O->1BETA)-D-GLUCOPYRANOSIDURONIC ACID SODIUM
MDL Number.: MFCD00278798
H bond acceptor: 8
H bond donor: 3
Smile: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O.[Na+]
InChi: InChI=1S/C25H38O8.Na/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24;/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31);/q;+1/p-1/t12-,13-,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-;/m0./s1
InChiKey: InChIKey=FEOCZWNDILZJAD-QRNLYYCJSA-M

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