| SpectraBase Compound ID | GVtm4VE1yRo |
|---|---|
| InChI | InChI=1S/C44H56O22/c1-11-12-13-14-16-19-33(57-26(4)47)34(20-17-15-18-21-54-24(2)45)64-44-42(63-32(10)53)40(61-30(8)51)38(59-28(6)49)36(66-44)23-56-43-41(62-31(9)52)39(60-29(7)50)37(58-27(5)48)35(65-43)22-55-25(3)46/h11-12,17,20,33-44H,15,18,21-23H2,1-10H3/b12-11+,20-17+/t33?,34?,35-,36+,37-,38+,39+,40-,41-,42+,43-,44+/m0/s1 |
| InChIKey | NXDZFJQBKVKMRM-WOGJOYBHSA-N |
| Mol Weight | 936.9 g/mol |
| Molecular Formula | C44H56O22 |
| Exact Mass | 936.326323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bkogig6dvch |
|---|---|
| Name | LOBETYOLININ-PERACETYLATED |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H56O22 |
| InChI | InChI=1S/C44H56O22/c1-11-12-13-14-16-19-33(57-26(4)47)34(20-17-15-18-21-54-24(2)45)64-44-42(63-32(10)53)40(61-30(8)51)38(59-28(6)49)36(66-44)23-56-43-41(62-31(9)52)39(60-29(7)50)37(58-27(5)48)35(65-43)22-55-25(3)46/h11-12,17,20,33-44H,15,18,21-23H2,1-10H3/b12-11+,20-17+/t33?,34?,35-,36+,37-,38+,39+,40-,41-,42+,43-,44+/m0/s1 |
| InChIKey | NXDZFJQBKVKMRM-WOGJOYBHSA-N |
| Literature Reference Author | K.ISHIMARU,S.SADOSHIMA,S.NEERA,K.KOYAMA,K.TAKAHASHI,K.SHIMOM URA |
| Literature Reference Citation | PHYTOCHEM.,31,1577(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83110-K |
| Molecular Weight | 936.915 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN5827 |