Catharanthine tartrate
HIT212664420
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HIT ID: HIT212664420
Cas No: 4168-17-6
分子式: C25H30N2O8
分子量: 486.521
常用名: Catharanthine tartrate
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 3.191243
IUPAC: 2,3-dihydroxybutanedioic acid; methyl (1R,15S,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.0^{2,10}.0^{4,9}.0^{13,18}]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
IUPAC: 2,3-dihydroxybutanedioic acid; methyl (1R,15S,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.0^{2,10}.0^{4,9}.0^{13,18}]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
SMILES: OC(C(O)C(O)=O)C(O)=O.CCC1=C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC |t:11,TLB:12:30:20.19.18.17:14.29.15,31:28:12.13:16.15,THB:20:28:12.13:16.15,17:16:12.13:28.29|
SMILES: OC(C(O)C(O)=O)C(O)=O.CCC1=C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC |t:11,TLB:12:30:20.19.18.17:14.29.15,31:28:12.13:16.15,THB:20:28:12.13:16.15,17:16:12.13:28.29|
InChI key: JYBKPXVXYJDIFX-QFUJWSNYSA-N
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