52886-37-0
DEOXYCHOLIC ACID-24-13C
Name
DEOXYCHOLIC ACID-24-13C
Formula
C24 H40 O4
MolWeight
393.565
1Identification
【Name】
DEOXYCHOLIC ACID-24-13C
【CAS】
【MDL】
MFCD00190301
【English Synonyms】
【Formula】
C24 H40 O4
【MolWeight】
393.565
【Inchi】
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i22+1
【InChIKey】
InChIKey=KXGVEGMKQFWNSR-JJUQXLBJSA-N
【SMILES】
C[C@H](CC[13C](=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DEOXYCHOLIC ACID-24-13C.cml
Quick Release
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