B-D-GLUCOPYRANOSIDURONIC ACID, (3B)-17-CARBOXY-28-NOROLEAN-12-EN-3-YL

CAS No.
26020-14-4
CCD No.
CCD01020364
Formula
C36 H56 O9
MolWeight
632.829

Basic Information

Product Name: B-D-GLUCOPYRANOSIDURONIC ACID, (3B)-17-CARBOXY-28-NOROLEAN-12-EN-3-YL
CAS: 26020-14-4
English Synonyms: B-D-GLUCOPYRANOSIDURONIC ACID, (3B)-17-CARBOXY-28-NOROLEAN-12-EN-3-YL ; OLEANOLIC ACID 3-O-GLUCURONIDE
MDL Number.: MFCD11113461
H bond acceptor: 9
H bond donor: 5
Smile: CC1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O)C
InChi: InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1
InChiKey: InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-N

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