| SpectraBase Compound ID | 43S4w8enobv |
|---|---|
| InChI | InChI=1S/C37H38O20/c1-15(38)47-14-27-32(51-19(5)42)35(53-21(7)44)36(54-22(8)45)37(55-27)57-31-26(50-18(4)41)13-25(49-17(3)40)28-29(46)34(52-20(6)43)30(56-33(28)31)23-9-11-24(12-10-23)48-16(2)39/h9-13,27,30,32,34-37H,14H2,1-8H3/t27-,30+,32-,34+,35+,36-,37+/m1/s1 |
| InChIKey | AZKRHWJRPZNZTG-ULWVEWIJSA-N |
| Mol Weight | 802.7 g/mol |
| Molecular Formula | C37H38O20 |
| Exact Mass | 802.195644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gg6hXuSczPl |
|---|---|
| Name | CALLUNIN-PERACETYLATED |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H38O20 |
| InChI | InChI=1S/C37H38O20/c1-15(38)47-14-27-32(51-19(5)42)35(53-21(7)44)36(54-22(8)45)37(55-27)57-31-26(50-18(4)41)13-25(49-17(3)40)28-29(46)34(52-20(6)43)30(56-33(28)31)23-9-11-24(12-10-23)48-16(2)39/h9-13,27,30,32,34-37H,14H2,1-8H3/t27-,30+,32-,34+,35+,36-,37+/m1/s1 |
| InChIKey | AZKRHWJRPZNZTG-ULWVEWIJSA-N |
| Literature Reference Author | A.SIMON,A.J.CHULIA,M.KAOUADJI,D.P.ALLAIS,C.DELAGE |
| Literature Reference Citation | PHYTOCHEM.,32,1045(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85253-N |
| Molecular Weight | 802.697 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWLU6332 |