| SpectraBase Compound ID | IoAoEqeh3EW |
|---|---|
| InChI | InChI=1S/C66H114O28/c1-9-12-14-15-16-17-20-23-27-31-44(71)88-57-52(79)54(92-66-60(94-62-50(77)48(75)46(73)41(33-67)85-62)59(90-61(80)35(4)36(5)69)55(39(8)83-66)87-43(70)11-3)38(7)81-63(57)91-53-37(6)82-64-58(51(53)78)89-45(72)32-28-24-21-18-19-22-26-30-40(29-25-13-10-2)84-65-56(93-64)49(76)47(74)42(34-68)86-65/h35-42,46-60,62-69,73-79H,9-34H2,1-8H3/t35?,36?,37-,38-,39+,40-,41-,42+,46-,47+,48+,49-,50-,51+,52+,53-,54-,55+,56+,57+,58+,59-,60-,62+,63-,64-,65+,66+/m0/s1 |
| InChIKey | UCDUQAGKSLZTTC-HSXGDZGPSA-N |
| Mol Weight | 1355.6 g/mol |
| Molecular Formula | C66H114O28 |
| Exact Mass | 1354.749663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bw84lIHA8kk |
|---|---|
| Name | ARBORESIN_3 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H114O28 |
| InChI | InChI=1S/C66H114O28/c1-9-12-14-15-16-17-20-23-27-31-44(71)88-57-52(79)54(92-66-60(94-62-50(77)48(75)46(73)41(33-67)85-62)59(90-61(80)35(4)36(5)69)55(39(8)83-66)87-43(70)11-3)38(7)81-63(57)91-53-37(6)82-64-58(51(53)78)89-45(72)32-28-24-21-18-19-22-26-30-40(29-25-13-10-2)84-65-56(93-64)49(76)47(74)42(34-68)86-65/h35-42,46-60,62-69,73-79H,9-34H2,1-8H3/t35?,36?,37-,38-,39+,40-,41-,42+,46-,47+,48+,49-,50-,51+,52+,53-,54-,55+,56+,57+,58+,59-,60-,62+,63-,64-,65+,66+/m0/s1 |
| InChIKey | UCDUQAGKSLZTTC-HSXGDZGPSA-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 | 1355.614 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18546 |