CHOLIC ACID-24-13C ,52886-36-9 _Chemical Cloud Database

CHOLIC ACID-24-13C

Basic Information
Product Name：	CHOLIC ACID-24-13C
CAS：	52886-36-9
English Synonyms：	CHOLIC-24-13C ACID ; CHOLIC ACID-24-13C
MDL Number.：	MFCD00190289
H bond acceptor：	5
H bond donor：	4
Smile：	C[C@H](CC[13C](=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChi：	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i21+1
InChiKey：	InChIKey=BHQCQFFYRZLCQQ-HFINQHRVSA-N
Property
Melting Point：	200-201 DEG C(LIT)
Comments：	ASSAY METHOD: CP MASS SHIFT: M+1 WGK: 2
Information：	ISOTOPIC PURITY: 99 ATOM % 13C MW: 409.59 BY ATOM % CALCULATION
Safety information
WGK Germany：	2

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