Chem
J-GLOBAL ID:200907050976936563   Nikkaji number:J859.796K

5,17-Diisopropyl-11-nitro-4,18,22-trimethyl-23-chloropentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol

5,17-ジイソプロピル-11-ニトロ-4,18,22-トリメチル-23-クロロペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26,27,28-テトラオール
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: C37H40Cl[N+]O5[O-]
Molecular formula furigana: C37-H40-CL-N-O6
Molecular weight: 630.180
InChI: InChI=1S/C37H40ClNO6/c1-17(2)28-12-24-8-22-10-27(39(44)45)11-23(34(22)40)9-25-13-29(18(3)4)20(6)31(36(25)42)16-32-21(7)33(38)15-26(37(32)43)14-30(19(28)5)35(24)41/h10-13,15,17-18,40-43H,8-9,14,16H2,1-7H3
InChI key: URXKDHRBDGSONI-UHFFFAOYSA-N
SMILES: CC(C)c1cc2Cc3cc(cc(Cc4cc(C(C)C)c(C)c(Cc5c(C)c(Cl)cc(Cc(c1C)c2O)c5O)c4O)c3O)[N+](=O)[O-]
Systematic name  (3):
  • 5,17-ジイソプロピル-11-ニトロ-4,18,22-トリメチル-23-クロロペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26,27,28-テトラオール
  • 5-クロロ-4,10,24-トリメチル-17-ニトロ-11,23-ビス(プロパン-2-イル)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26,27,28-テトラオール
  • 5-chloro-4,10,24-trimethyl-17-nitro-11,23-bis(propan-2-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol
Other name (1):
  • 5,17-Diisopropyl-11-nitro-4,18,22-trimethyl-23-chloropentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol
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