| SpectraBase Compound ID | HWlhju2XDfu |
|---|---|
| InChI | InChI=1S/C40H69N7O16/c1-6-7-8-9-10-11-12-13-14-15-16-40(5,62)29-18-30(52)43-26(19-48)36(58)42-22(2)33(55)44-25(17-31(53)54)35(57)41-23(3)34(56)45-27(20-49)37(59)46-28(21-50)38(60)47-32(24(4)51)39(61)63-29/h22-29,32,48-51,62H,6-21H2,1-5H3,(H,41,57)(H,42,58)(H,43,52)(H,44,55)(H,45,56)(H,46,59)(H,47,60)(H,53,54)/t22-,23+,24-,25-,26+,27-,28-,29?,32-,40?/m1/s1 |
| InChIKey | WKSAMKWFSYJCOB-YRHXLCEASA-N |
| Mol Weight | 904.0 g/mol |
| Molecular Formula | C40H69N7O16 |
| Exact Mass | 903.480079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6CpMNsC7D6 |
|---|---|
| Name | PHAEOFUNGIN;CYCLO-(DHMHDA-L-SER-D-ALA-D-ASP-L-ALA-D-SER-D-ALLO-THR) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H69N7O16 |
| InChI | InChI=1S/C40H69N7O16/c1-6-7-8-9-10-11-12-13-14-15-16-40(5,62)29-18-30(52)43-26(19-48)36(58)42-22(2)33(55)44-25(17-31(53)54)35(57)41-23(3)34(56)45-27(20-49)37(59)46-28(21-50)38(60)47-32(24(4)51)39(61)63-29/h22-29,32,48-51,62H,6-21H2,1-5H3,(H,41,57)(H,42,58)(H,43,52)(H,44,55)(H,45,56)(H,46,59)(H,47,60)(H,53,54)/t22-,23+,24-,25-,26+,27-,28-,29?,32-,40?/m1/s1 |
| InChIKey | WKSAMKWFSYJCOB-YRHXLCEASA-N |
| Literature Reference Author | S.B.SINGH,J.ONDEYKA,G.HARRIS,K.HERATH,D.ZINK,F.VICENTE,G.BIL LS,J.COLLADO,G.PLATA |
| Literature Reference Citation | J.NAT.PROD.,76,334(2013) |
| Literature Reference DOI | 10.1021/np300704s |
| Molecular Weight | 904.025 g/mol |
| Sample ID | 42267 |
| Solvent | C5D5N |