| SpectraBase Compound ID | ER5ZSTAfP7N |
|---|---|
| InChI | InChI=1S/C68H118O28/c1-10-13-15-16-17-18-21-24-28-32-45(72)89-58-53(80)55(94-68-61(96-64-51(78)49(76)47(74)43(34-69)87-64)60(92-63(82)37(5)38(6)71)56(41(9)85-68)91-62(81)36(4)12-3)40(8)83-65(58)93-54-39(7)84-66-59(52(54)79)90-46(73)33-29-25-22-19-20-23-27-31-42(30-26-14-11-2)86-67-57(95-66)50(77)48(75)44(35-70)88-67/h36-44,47-61,64-71,74-80H,10-35H2,1-9H3/t36?,37?,38?,39-,40-,41+,42-,43-,44+,47-,48+,49+,50-,51-,52+,53+,54-,55-,56+,57+,58+,59+,60-,61-,64+,65-,66-,67+,68+/m0/s1 |
| InChIKey | UEDNENANFLMZJP-ZMOZVDOTSA-N |
| Mol Weight | 1383.7 g/mol |
| Molecular Formula | C68H118O28 |
| Exact Mass | 1382.780963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9FJ7zWS9jMD |
|---|---|
| Name | ARBORESIN_5 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H118O28 |
| InChI | InChI=1S/C68H118O28/c1-10-13-15-16-17-18-21-24-28-32-45(72)89-58-53(80)55(94-68-61(96-64-51(78)49(76)47(74)43(34-69)87-64)60(92-63(82)37(5)38(6)71)56(41(9)85-68)91-62(81)36(4)12-3)40(8)83-65(58)93-54-39(7)84-66-59(52(54)79)90-46(73)33-29-25-22-19-20-23-27-31-42(30-26-14-11-2)86-67-57(95-66)50(77)48(75)44(35-70)88-67/h36-44,47-61,64-71,74-80H,10-35H2,1-9H3/t36?,37?,38?,39-,40-,41+,42-,43-,44+,47-,48+,49+,50-,51-,52+,53+,54-,55-,56+,57+,58+,59+,60-,61-,64+,65-,66-,67+,68+/m0/s1 |
| InChIKey | UEDNENANFLMZJP-ZMOZVDOTSA-N |
| Literature Reference Author | I.LEON,G.MIRON,D.ALONSO |
| Literature Reference Citation | J.NAT.PROD.,69,896(2006) |
| Literature Reference DOI | 10.1021/np0600604 |
| Molecular Weight | 1383.668 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18548 |