分析物名称

Voclosporin-d4

分子式

C63H107D4N11O12

分子量

1218.65

精确质量测定

1217.87

SMILES

CC[C@H]1C(N(C)CC(N(C)[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N(C)[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@H](C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](C(C)C)C(N(C)[C@@H]([C@H](O)[C@@H](C/C=C([2H])/C([2H])=C([2H])/[2H])C)C(N1)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O

InChI

InChI=1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1/i1D2,25D,27D

IUPAC

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhepta-4,6-dien-1-yl-5,6,7,7-d4)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

无标签CAS登记号

515814-01-4

SIL类型

Deuterium

存储温度

-20°C

运输温度

Room Temperature

原产国

CANADA

产品类型

Stable Isotope Labelled; API

产品形式

Neat

API家族

Voclosporin