| SpectraBase Compound ID | FlABF9LLbnU |
|---|---|
| InChI | InChI=1S/C54H54O11/c1-64-49-32-48(62)51(53(63)52(49)47(61)30-13-35-10-23-41(58)24-11-35)46-31-44(29-12-34-8-21-40(57)22-9-34)65-54(37-16-27-43(60)28-17-37)50(46)45(36-14-25-42(59)26-15-36)4-2-3-38(55)18-5-33-6-19-39(56)20-7-33/h2,4,6-11,13-17,19-28,30,32,38,44-46,50,54-60,62-63H,3,5,12,18,29,31H2,1H3/b4-2+,30-13+/t38-,44+,45-,46-,50+,54-/m1/s1 |
| InChIKey | HIWNJCMWCICIHA-SOPVFMOZSA-N |
| Mol Weight | 879.0 g/mol |
| Molecular Formula | C54H54O11 |
| Exact Mass | 878.366613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFa2d6zXOvc |
|---|---|
| Name | BLEPHAROCALYXIN-E |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H54O11 |
| InChI | InChI=1S/C54H54O11/c1-64-49-32-48(62)51(53(63)52(49)47(61)30-13-35-10-23-41(58)24-11-35)46-31-44(29-12-34-8-21-40(57)22-9-34)65-54(37-16-27-43(60)28-17-37)50(46)45(36-14-25-42(59)26-15-36)4-2-3-38(55)18-5-33-6-19-39(56)20-7-33/h2,4,6-11,13-17,19-28,30,32,38,44-46,50,54-60,62-63H,3,5,12,18,29,31H2,1H3/b4-2+,30-13+/t38-,44+,45-,46-,50+,54-/m1/s1 |
| InChIKey | HIWNJCMWCICIHA-SOPVFMOZSA-N |
| Literature Reference Author | M.S.ALI,Y.TEZUKA,A.H.BANSKOTA,S.KADOTA |
| Literature Reference Citation | J.NAT.PROD.,64,491(2001) |
| Literature Reference DOI | 10.1021/np000493l |
| Molecular Weight | 879.016 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU9367 |