Chem
J-GLOBAL ID：200907076337974097   Nikkaji number：J1.028.911D

(4′R,18′R)-Vincaleukoblastine

(4′R,18′R)-ビンカロイコブラスチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C46H58N4O9
Molecular formula furigana： C46-H58-N4-O9
Molecular weight： 810.989
InChI： InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42-,43-,44-,45-,46+/m1/s1
InChI key： JXLYSJRDGCGARV-UHHJTAMBSA-N
SMILES： CC[C@@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@@]32CCN2CC=C[C@](CC)([C@@H]32)[C@@H](OC(=O)C)[C@]1(O)C(=O)OC
Systematic name  (2)：
  • (4′R,18′R)-ビンカロイコブラスチン
  • (2′S,4′R,18′R)-ビンカロイコブラスチン
Other name (2)：
  • (4′R,18′R)-Vincaleukoblastine
  • (2′S,4′R,18′R)-Vincaleukoblastine
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