| SpectraBase Compound ID | ekbMncXWE2 |
|---|---|
| InChI | InChI=1S/C52H82O22/c1-47(2)14-22-21-8-9-28-49(5)12-11-30(48(3,4)27(49)10-13-50(28,6)51(21,7)15-29(56)52(22)16-31(47)72-46(52)65)71-45-41(74-43-39(64)36(61)34(59)25(17-53)69-43)37(62)35(60)26(70-45)20-68-44-40(33(58)24(55)19-67-44)73-42-38(63)32(57)23(54)18-66-42/h8,22-45,53-64H,9-20H2,1-7H3/t22?,23-,24-,25+,26+,27?,28?,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1 |
| InChIKey | PBFBKJDZKGGOJI-CUVQDDJGSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C52H82O22 |
| Exact Mass | 1058.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9m5EKIYT3ix |
|---|---|
| Name | PBFBKJDZKGGOJI-CUVQDDJGSA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O22 |
| InChI | InChI=1S/C52H82O22/c1-47(2)14-22-21-8-9-28-49(5)12-11-30(48(3,4)27(49)10-13-50(28,6)51(21,7)15-29(56)52(22)16-31(47)72-46(52)65)71-45-41(74-43-39(64)36(61)34(59)25(17-53)69-43)37(62)35(60)26(70-45)20-68-44-40(33(58)24(55)19-67-44)73-42-38(63)32(57)23(54)18-66-42/h8,22-45,53-64H,9-20H2,1-7H3/t22?,23-,24-,25+,26+,27?,28?,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1 |
| InChIKey | PBFBKJDZKGGOJI-CUVQDDJGSA-N |
| Literature Reference Author | K.YOSHIKAWA,Y.SUZAKI,M.TANAKA,S.ARIHARA,S.K.NIGAM |
| Literature Reference Citation | J.NAT.PROD.,60,1269(1997) |
| Literature Reference DOI | 10.1021/np9703555 |
| Molecular Weight | 1059.210 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU337 |