化学生物学
选项
-
-
-
β-谷甾醇 β-D-葡萄糖苷分子式: C35H60O6 分子量: 576.85IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)CInChIKey: NPJICTMALKLTFW-OFUAXYCQSA-NInChI: InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
-
β-乳香酸分子式: C30H48O3 分子量: 456.7IUPAC Name: (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acidSMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)CInChIKey: NBGQZFQREPIKMG-PONOSELZSA-NInChI: InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
-
-
升麻素苷CAS号 : 66176-93-0 Compound CID : 128327分子式: C37H54O11 分子量: 674.82IUPAC Name: [(3'S,4'R,5'R,6'R,10'S,12'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetateSMILES: CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(C(CC67CC68CCC(C(C8CC=C7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)CInChIKey: XUJMHSCMPCZWOV-NVJMOZEJSA-NInChI: InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21?,23?,24+,25+,26+,27-,28+,29?,30?,32+,33-,34?,35-,36?,37?/m1/s1
-
1,7-二氯异喹啉, ARCAS号 : 70810-24-1 Compound CID : 640956分子式: C9H5Cl2N 分子量: 198.05IUPAC Name: 1,7-dichloroisoquinolineSMILES: C1=CC(=CC2=C1C=CN=C2Cl)ClInChIKey: NRBSVPXPMBQUGX-UHFFFAOYSA-NInChI: InChI=1S/C9H5Cl2N/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
-
二甲苯酚橙钠盐CAS号 : 63721-83-5 Compound CID : 131675659分子式: C31H31N2NaO13S 分子量: 694.63IUPAC Name: sodium;2-[[5-[(E)-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetateSMILES: CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)[O-])C(=C2C=C(C(=O)C(=C2)CN(CC(=O)O)CC(=O)O)C)C3=CC=CC=C3S(=O)(=O)O.[Na+]InChIKey: VFKMJZUEFSTCGQ-PXNGTKLSSA-MInChI: InChI=1S/C31H32N2O13S.Na/c1-17-7-19(9-21(30(17)42)11-32(13-25(34)35)14-26(36)37)29(23-5-3-4-6-24(23)47(44,45)46)20-8-18(2)31(43)22(10-20)12-33(15-27(38)39)16-28(40)41;/h3-10,42H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,44,45,46);/q;+1/p-1/b29-20+;