13042-33-6
GLYCOHYODEOXYCHOLIC ACID
Name
GLYCOHYODEOXYCHOLIC ACID
Formula
C26 H43 N O5
MolWeight
449.628
1Identification
【Name】
GLYCOHYODEOXYCHOLIC ACID
【CAS】
【MDL】
MFCD00200631
【English Synonyms】
【Formula】
C26 H43 N O5
【MolWeight】
449.628
【Inchi】
InChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1
【InChIKey】
InChIKey=SPOIYSFQOFYOFZ-BRDORRHWSA-N
【SMILES】
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
GLYCOHYODEOXYCHOLIC ACID.cml
Quick Release
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