| SpectraBase Compound ID | 9JvrOj1mOIf |
|---|---|
| InChI | InChI=1S/C68H118O29/c1-10-12-14-15-16-17-20-23-27-31-45(73)90-58-53(81)55(95-68-61(97-64-51(79)49(77)47(75)43(33-69)88-64)60(93-63(83)36(4)38(6)72)56(41(9)86-68)92-62(82)35(3)37(5)71)40(8)84-65(58)94-54-39(7)85-66-59(52(54)80)91-46(74)32-28-24-21-18-19-22-26-30-42(29-25-13-11-2)87-67-57(96-66)50(78)48(76)44(34-70)89-67/h35-44,47-61,64-72,75-81H,10-34H2,1-9H3/t35?,36?,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 | CHTQRZPWOYYLKG-CCIPXOICSA-N |
| Mol Weight | 1399.7 g/mol |
| Molecular Formula | C68H118O29 |
| Exact Mass | 1398.775878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97eL8ZrghlV |
|---|---|
| Name | ARBORESIN_6 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H118O29 |
| InChI | InChI=1S/C68H118O29/c1-10-12-14-15-16-17-20-23-27-31-45(73)90-58-53(81)55(95-68-61(97-64-51(79)49(77)47(75)43(33-69)88-64)60(93-63(83)36(4)38(6)72)56(41(9)86-68)92-62(82)35(3)37(5)71)40(8)84-65(58)94-54-39(7)85-66-59(52(54)80)91-46(74)32-28-24-21-18-19-22-26-30-42(29-25-13-11-2)87-67-57(96-66)50(78)48(76)44(34-70)89-67/h35-44,47-61,64-72,75-81H,10-34H2,1-9H3/t35?,36?,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 | CHTQRZPWOYYLKG-CCIPXOICSA-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 | 1399.668 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18549 |