| SpectraBase Compound ID | 54J1pge3LQz |
|---|---|
| InChI | InChI=1S/C65H112O28/c1-9-11-13-14-15-16-19-22-26-30-43(70)87-56-51(78)53(91-65-59(93-61-49(76)47(74)45(72)41(32-66)85-61)58(89-60(79)34(3)35(4)68)54(38(7)82-65)83-39(8)69)37(6)80-62(56)90-52-36(5)81-63-57(50(52)77)88-44(71)31-27-23-20-17-18-21-25-29-40(28-24-12-10-2)84-64-55(92-63)48(75)46(73)42(33-67)86-64/h34-38,40-42,45-59,61-68,72-78H,9-33H2,1-8H3/t34?,35?,36-,37-,38+,40-,41-,42+,45-,46+,47+,48-,49-,50+,51+,52-,53-,54+,55+,56+,57+,58-,59-,61+,62-,63-,64+,65+/m0/s1 |
| InChIKey | QKGPUVQCESHUGA-VRDKOVOMSA-N |
| Mol Weight | 1341.6 g/mol |
| Molecular Formula | C65H112O28 |
| Exact Mass | 1340.734013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gqzjYhnMLL |
|---|---|
| Name | ARBORESIN_2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H112O28 |
| InChI | InChI=1S/C65H112O28/c1-9-11-13-14-15-16-19-22-26-30-43(70)87-56-51(78)53(91-65-59(93-61-49(76)47(74)45(72)41(32-66)85-61)58(89-60(79)34(3)35(4)68)54(38(7)82-65)83-39(8)69)37(6)80-62(56)90-52-36(5)81-63-57(50(52)77)88-44(71)31-27-23-20-17-18-21-25-29-40(28-24-12-10-2)84-64-55(92-63)48(75)46(73)42(33-67)86-64/h34-38,40-42,45-59,61-68,72-78H,9-33H2,1-8H3/t34?,35?,36-,37-,38+,40-,41-,42+,45-,46+,47+,48-,49-,50+,51+,52-,53-,54+,55+,56+,57+,58-,59-,61+,62-,63-,64+,65+/m0/s1 |
| InChIKey | QKGPUVQCESHUGA-VRDKOVOMSA-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 | 1341.587 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18545 |