| SpectraBase Compound ID | 4V9uYnGZ2TD |
|---|---|
| InChI | InChI=1S/C75H124N14O17/c1-20-43(14)58(70(100)88-61-46(17)106-74(104)57(42(12)13)84-62(92)48(22-3)77-64(94)50(37-47-29-24-23-25-30-47)79-66(96)54(39(6)7)81-69(99)59(44(15)21-2)86-72(61)102)85-63(93)49(31-27-35-76)78-65(95)51-32-28-36-89(51)73(103)56(41(10)11)83-68(98)55(40(8)9)82-71(101)60(45(16)90)87-67(97)53(38(4)5)80-52(91)33-26-34-75(18,19)105/h22-25,29-30,38-46,49-51,53-61,90,105H,20-21,26-28,31-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b48-22-/t43-,44+,45+,46-,49+,50+,51-,53+,54-,55-,56+,57+,58-,59-,60-,61-/m1/s1 |
| InChIKey | ALXLPJFIZHADTG-NOCIRGPISA-N |
| Mol Weight | 1493.9 g/mol |
| Molecular Formula | C75H124N14O17 |
| Exact Mass | 1492.926889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6zOr5nnpPmF |
|---|---|
| Name | 5-OHKF |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H124N14O17 |
| InChI | InChI=1S/C75H124N14O17/c1-20-43(14)58(70(100)88-61-46(17)106-74(104)57(42(12)13)84-62(92)48(22-3)77-64(94)50(37-47-29-24-23-25-30-47)79-66(96)54(39(6)7)81-69(99)59(44(15)21-2)86-72(61)102)85-63(93)49(31-27-35-76)78-65(95)51-32-28-36-89(51)73(103)56(41(10)11)83-68(98)55(40(8)9)82-71(101)60(45(16)90)87-67(97)53(38(4)5)80-52(91)33-26-34-75(18,19)105/h22-25,29-30,38-46,49-51,53-61,90,105H,20-21,26-28,31-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b48-22-/t43-,44+,45+,46-,49+,50+,51-,53+,54-,55-,56+,57+,58-,59-,60-,61-/m1/s1 |
| InChIKey | ALXLPJFIZHADTG-NOCIRGPISA-N |
| Literature Reference Author | J.GAO,C.CABALLERO-GEORGE,B.WANG,K.V.RAO,A.G.SHILABIN,M.T.HAM ANN |
| Literature Reference Citation | J.NAT.PROD.,72,2172(2009) |
| Literature Reference DOI | 10.1021/np900287e |
| Molecular Weight | 1493.893 g/mol |
| Sample ID | 34261 |
| Solvent | DMSO-D6 |