NCS

中国新化学物质查询

澳茄新碱

Solasurine

(2R,3R,4S,5S,6R)-6-({[(2S,3S,4R,5R,6R)-3,5-Dihydroxy-2-methyl-6-{[(2S,4aR,4bS,5'R,6aS,6bR,7S,8R,9aS,10aS,10bS)-4a,5',6a,7-tetramethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidin]-2-yl]oxy}tetrahydro-2H-pyran-4-yl]oxy}methyl)tetrahydro-2H-pyran-2,3,4,5-tetrol

CAS号: 27028-76-8

IUPAC名称: (2R,3R,4S,5S,6R)-6-[[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol

分子式: C39H63NO11

分子量: 721.918

InChI: InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31+,32-,33-,34-,35-,36+,37+,38+,39-/m1/s1

InChIKey: SGEKLQMLYWFVFY-VAVRQHLYSA-N

SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)OC[C@@H]8[C@H]([C@@H]([C@H]([C@@H](O8)O)O)O)O)O)C)C)C)NC1

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