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Substance Name: Clivimine
RN: 7096-85-7
InChIKey: CJYOGPFDNAEALZ-BVORSCEZSA-N

Molecular Formula

  • C43-H43-N3-O12

Molecular Weight

  • 793.8217
 
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Names and Synonyms

Results Name

  • Clivimine

Synonym

  • Clivimine

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, bis((3aR,5S,5aR,12bS,12cR)-1,2,3,3a,4,5,5a,7,12b,12c-decahydro-1-methyl-7-oxo(1,3)dioxolo(6,7)(2)benzopyrano(3,4-g)indol-5-yl) ester

Registry Numbers

CAS Registry Number

  • 7096-85-7

Other Registry Numbers

  • 11012-31-0
  • 1397-02-0

System Generated Number

  • 0007096857

Structure Descriptors

InChI

1S/C43H43N3O12/c1-18-22(40(47)55-32-9-20-5-7-45(3)36(20)34-24-12-28-30(53-16-51-28)14-26(24)42(49)57-38(32)34)11-23(19(2)44-18)41(48)56-33-10-21-6-8-46(4)37(21)35-25-13-29-31(54-17-52-29)15-27(25)43(50)58-39(33)35/h11-15,20-21,32-39H,5-10,16-17H2,1-4H3/t20-,21-,32+,33+,34+,35+,36-,37-,38+,39+/m1/s1

InChIKey

CJYOGPFDNAEALZ-BVORSCEZSA-N

Smiles

CN1CC[C@@H]2C[C@H](OC(=O)c3cc(C(=O)O[C@H]4C[C@H]5CCN(C)[C@H]5[C@H]6[C@H]4OC(=O)c7cc8OCOc8cc67)c(C)nc3C)[C@@H]9OC(=O)c%10cc%11OCOc%11cc%10[C@H]9[C@H]12