甘氨胆酸

pro_cas
64431-95-4
pro_cdbregno
CCD00081621
pro_formula
C26 H43 N O6
pro_molWeight
466.616

basic_info

Product_Name: 甘氨胆酸
CAS: 64431-95-4
中文同义词: 甘氨胆酸
EnglishSynonyms: GLYCOCHOLIC ACID-(GLYCYL-1-13C) ; GLYCOCHOLIC ACID-13C1 (GLYCYL-1-13C) ; GLYCINE-1-13C, N-[(3A,5B,7A,12A)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL]-
pro_mdlNumber: MFCD00167403
pro_acceptors: 7
pro_donors: 5
pro_smile: C[C@H](CCC(=O)NC[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/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1/i23+1
InChiKey: InChIKey=RFDAIACWWDREDC-JSLOLQEMSA-N

property

MeltingPoint: 165-168 DEG C(LIT)
Comments: MASS SHIFT: M+1
RIDADR: UN 3077 9/PG 3
WGK: 3
Information: ISOTOPIC PURITY: 99 ATOM % 13C
MW: 466.65 BY ATOM % CALCULATION

secure_info

secure_damage_code: N
secure_risk_disclosure_stmt: R:51/53
secure_security_stmt: S:61
secure_wgk_germany: 3

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