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Substance Name: Calyculin F
RN: 133445-06-4
InChIKey: FKAWLXNLHHIHLA-PCYJXAAMSA-N

Molecular Formula

  • C50-H81-N4-O15-P

Molecular Weight

  • 1009.18
 
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Names and Synonyms

Results Name

  • Calyculin F

Synonym

  • Calyculin F

Registry Numbers

CAS Registry Number

  • 133445-06-4

System Generated Number

  • 0133445064

Structure Descriptors

InChI

1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20+,30-17-,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1

InChIKey

FKAWLXNLHHIHLA-PCYJXAAMSA-N

Smiles

C1(C)([C@@]2(C[C@H]([C@H](C)[C@@H](O2)C\C=C\c2coc([C@H](CCNC([C@H]([C@H]([C@H](COC)N(C)C)O)O)=O)C)n2)O)O[C@@H]([C@H](C[C@@H]([C@@H]([C@@H]([C@@H](\C=C(/C)\C(=C/C=C/C(C)=C/C#N)C)C)O)C)O)OC)[C@@H]1OP(O)(=O)O)C