4-PREGNEN-21-OL-3,20-DIONE-3,21-GLUCURONIDE

CAS No.
CCD No.
CCD00135980
Formula
C27 H38 O9
MolWeight
506.588

Basic Information

Product Name: 4-PREGNEN-21-OL-3,20-DIONE-3,21-GLUCURONIDE
English Synonyms: 4-PREGNEN-21-OL-3,20-DIONE-3,21-GLUCURONIDE ; DESOXYCORTICOSTERONE-3,21-DIGLUCURONIDE
MDL Number.: MFCD00467456
H bond acceptor: 9
H bond donor: 4
Smile: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@]35C
InChi: InChI=1S/C27H38O9/c1-26-9-7-14(28)11-13(26)3-4-15-16-5-6-18(27(16,2)10-8-17(15)26)19(29)12-35-25-22(32)20(30)21(31)23(36-25)24(33)34/h11,15-18,20-23,25,30-32H,3-10,12H2,1-2H3,(H,33,34)/t15-,16-,17-,18+,20-,21-,22+,23-,25?,26-,27-/m0/s1
InChiKey: InChIKey=YRSNTGVWEWTGMF-VNKZQDBXSA-N

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