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长春碱衍生物
(−)-Conophylline
2H,22H-Indolo[2'',3'':7',8']pyrrolo[1'',2'',3'':1',8']quino[2',3':4,5]furo[2,3-b]oxireno[6,7]indolizino[1,8-fg]carbazole-3,9-dicarboxylic acid, 1b,7a-diethyl-1a,1b,4,6a,7,7a,8,10,14c,15,16,17a,19,20,21a,22a-hexadecahydro-7,13-dihydroxy-11,12-dimethoxy-, dimethyl ester, (1aS,1bS,6aS,7S,7aS,14bR,14cR,17aR,18bR,21aR,22aR)-, (−)-Conophylline, Dimethyl (1aS,1bS,6aS,7S,7aS,14bR,14cR,17aR,18bR,21aR,22aR)-1b,7a-diethyl-7,13-dihydroxy-11,12-dimethoxy-1b,4,6a,7,7a,8,10,14c,15,16,17a,19,20,21a,22,22a-hexadecahydro-1aH,2H-indolo[2'',3'':7',8']pyrrolo[1'',2'',3'':1',8']quinolino[2',3':4,5]furo[2,3-b]oxireno[6,7]indolizino[1,8-fg]carbazole-3,9-dicarboxylate
CAS号: 142741-24-0
IUPAC名称: dimethyl (2R,6R,11R,13S,14S,23S,24S,25S,36R,39R,40R)-14,25-diethyl-24,33-dihydroxy-31,32-dimethoxy-12,22-dioxa-1,9,18,29-tetrazadodecacyclo[23.13.1.16,9.02,23.03,21.05,19.06,17.011,13.028,36.030,35.036,39.014,40]tetraconta-3,5(19),16,20,27,30,32,34-octaene-16,27-dicarboxylate
分子式: C44H50N4O10
分子量: 794.889
InChI: InChI=1S/C44H50N4O10/c1-7-41-16-20(37(51)55-5)34-44(23-14-25(49)30(53-3)31(54-4)28(23)46-34)10-12-48(40(41)44)29-19-13-22-24(15-26(19)57-32(29)35(41)50)45-33-21(38(52)56-6)17-42(8-2)36-27(58-36)18-47-11-9-43(22,33)39(42)47/h13-15,27,29,32,35-36,39-40,45-46,49-50H,7-12,16-18H2,1-6H3/t27-,29-,32+,35-,36-,39+,40+,41-,42-,43+,44+/m1/s1
InChIKey: QZRIMAMDGWAHPQ-ATPAGDLWSA-N
SMILES: CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)[C@H]5[C@@H]([C@H]2O)OC6=CC7=C(C=C56)[C@]89CCN1[C@H]8[C@](CC(=C9N7)C(=O)OC)([C@H]2[C@@H](C1)O2)CC)C1=CC(=C(C(=C1N3)OC)OC)O)C(=O)OC
EINECS: -
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