| SpectraBase Compound ID | 5SpsRcxCNTQ |
|---|---|
| InChI | InChI=1S/C67H116O28/c1-9-12-14-15-16-17-20-23-27-32-45(72)89-58-53(80)55(93-67-61(95-63-51(78)49(76)47(74)42(34-68)86-63)60(91-62(81)36(4)37(5)70)56(40(8)84-67)88-44(71)29-11-3)39(7)82-64(58)92-54-38(6)83-65-59(52(54)79)90-46(73)33-28-24-21-18-19-22-26-31-41(30-25-13-10-2)85-66-57(94-65)50(77)48(75)43(35-69)87-66/h36-43,47-61,63-70,74-80H,9-35H2,1-8H3/t36?,37?,38-,39-,40+,41-,42-,43+,47-,48+,49+,50-,51-,52+,53+,54-,55-,56+,57+,58+,59+,60-,61-,63+,64-,65-,66+,67+/m0/s1 |
| InChIKey | ZDSCMHPEWOPANQ-VRNFGLOESA-N |
| Mol Weight | 1369.6 g/mol |
| Molecular Formula | C67H116O28 |
| Exact Mass | 1368.765313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HnDa9iejGA |
|---|---|
| Name | ARBORESIN_4 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H116O28 |
| InChI | InChI=1S/C67H116O28/c1-9-12-14-15-16-17-20-23-27-32-45(72)89-58-53(80)55(93-67-61(95-63-51(78)49(76)47(74)42(34-68)86-63)60(91-62(81)36(4)37(5)70)56(40(8)84-67)88-44(71)29-11-3)39(7)82-64(58)92-54-38(6)83-65-59(52(54)79)90-46(73)33-28-24-21-18-19-22-26-31-41(30-25-13-10-2)85-66-57(94-65)50(77)48(75)43(35-69)87-66/h36-43,47-61,63-70,74-80H,9-35H2,1-8H3/t36?,37?,38-,39-,40+,41-,42-,43+,47-,48+,49+,50-,51-,52+,53+,54-,55-,56+,57+,58+,59+,60-,61-,63+,64-,65-,66+,67+/m0/s1 |
| InChIKey | ZDSCMHPEWOPANQ-VRNFGLOESA-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 | 1369.641 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18547 |