VINTRIPTOL

pro_cas
81600-06-8
pro_cdbregno
CCD00177406
pro_formula
C56 H68 N6 O9
pro_molWeight
969.186

basic_info

Product_Name: VINTRIPTOL
CAS: 81600-06-8
EnglishSynonyms: VINTRIPTOL
pro_mdlNumber: MFCD00869138
pro_acceptors: 15
pro_donors: 6
pro_smile: CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)OCC)O)O)CC)C)C(=O)OC)O
InChi: InChI=1S/C56H68N6O9/c1-7-52(67)28-33-29-55(51(66)70-6,45-37(19-23-61(31-33)32-52)36-16-11-13-18-41(36)58-45)39-26-38-43(27-44(39)69-5)60(4)48-54(38)21-24-62-22-14-20-53(8-2,47(54)62)49(64)56(48,68)50(65)59-42(46(63)71-9-3)25-34-30-57-40-17-12-10-15-35(34)40/h10-18,20,26-27,30,33,42,47-49,57-58,64,67-68H,7-9,19,21-25,28-29,31-32H2,1-6H3,(H,59,65)/t33-,42-,47-,48+,49+,52-,53+,54+,55-,56-/m0/s1
InChiKey: InChIKey=IQDSXWRQCKDBMW-NSFJATOBSA-N

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