3,6,7,12-TETRAHYDROXYCHOLANOIC ACID

CAS No.
63266-88-6
CCD No.
CCD07368876
Formula
C24 H40 O6
MolWeight
424.574

Basic Information

Product Name: 3,6,7,12-TETRAHYDROXYCHOLANOIC ACID
CAS: 63266-88-6
English Synonyms: 3A,6A,7A,12A-TETRAHYDROXY-5BETA-CHOLANOIC ACID ; 3,6,7,12-TETRAHYDROXYCHOLANOIC ACID ; 3,6,7,12-TETRAHYDROXYCHOLAN-24-OIC ACID
MDL Number.: MFCD22380622
H bond acceptor: 6
H bond donor: 5
Smile: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)O)C
InChi: InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1
InChiKey: InChIKey=COCMFMBNEAMQMA-NQTCFNIESA-N

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