![UA-[ACETONIDE]-C(4')-TRIFLUOROMETHYL-CRYPTOPHYCIN-52](/api/spectrum/ACG2ZN3lOzM/structure.png?h=300&w=458 "UA-[ACETONIDE]-C(4')-TRIFLUOROMETHYL-CRYPTOPHYCIN-52")
| SpectraBase Compound ID | 7V3hXO9rWfK |
|---|---|
| InChI | InChI=1S/C40H50ClF3N2O9/c1-22(2)18-31-36(49)52-29(23(3)33-34(55-39(6,7)54-33)25-13-15-26(16-14-25)40(42,43)44)10-9-11-32(47)46-28(20-24-12-17-30(51-8)27(41)19-24)35(48)45-21-38(4,5)37(50)53-31/h9,11-17,19,22-23,28-29,31,33-34H,10,18,20-21H2,1-8H3,(H,45,48)(H,46,47)/b11-9+/t23-,28+,29-,31-,33+,34+/m0/s1 |
| InChIKey | CVJQDRAJRLMJAU-APDCPZPDSA-N |
| Mol Weight | 795.3 g/mol |
| Molecular Formula | C40H50ClF3N2O9 |
| Exact Mass | 794.315693 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACG2ZN3lOzM |
|---|---|
| Name | UA-[ACETONIDE]-C(4')-TRIFLUOROMETHYL-CRYPTOPHYCIN-52 |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H50ClF3N2O9 |
| InChI | InChI=1S/C40H50ClF3N2O9/c1-22(2)18-31-36(49)52-29(23(3)33-34(55-39(6,7)54-33)25-13-15-26(16-14-25)40(42,43)44)10-9-11-32(47)46-28(20-24-12-17-30(51-8)27(41)19-24)35(48)45-21-38(4,5)37(50)53-31/h9,11-17,19,22-23,28-29,31,33-34H,10,18,20-21H2,1-8H3,(H,45,48)(H,46,47)/b11-9+/t23-,28+,29-,31-,33+,34+/m0/s1 |
| InChIKey | CVJQDRAJRLMJAU-APDCPZPDSA-N |
| Literature Reference Author | C.WEIB,T.BOGNER,B.SAMMET,N.SEWALD |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,2060(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.231 |
| Solvent | CDCl3 |
| Source File Reference | UWIR11290 |