DEOXYCHOLIC ACID-24-13C

CAS No.
52886-37-0
CCD No.
CCD00090122
Formula
C24 H40 O4
MolWeight
393.565

Basic Information

Product Name: DEOXYCHOLIC ACID-24-13C
CAS: 52886-37-0
English Synonyms: DESOXYCHOLIC ACID-24-13C ; 3ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOLANIC ACID-24-13C ; 7-DEOXYCHOLIC ACID-24-13C ; DEOXYCHOLIC ACID-24-13C
MDL Number.: MFCD00190301
H bond acceptor: 4
H bond donor: 3
Smile: 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
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

Property

Melting Point: 171-174 DEG C
Comments: MASS SHIFT: M+1
WGK: 3
Information: ISOTOPIC PURITY: 99 ATOM% 13C
MW: 393.56 BY ATOM% CALCULATION

Safety information

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