| SpectraBase Compound ID | 1Wzh9HbTmiU |
|---|---|
| InChI | InChI=1S/C42H38O9/c1-49-36-23-35(48)37-33-22-32(20-6-24-2-12-28(43)13-3-24)50-40(26-8-16-30(45)17-9-26)38(33)41(27-10-18-31(46)19-11-27)51-42(37)39(36)34(47)21-7-25-4-14-29(44)15-5-25/h2-5,7-19,21,23,32-33,38,40-41,43-46,48H,6,20,22H2,1H3/b21-7+/t32-,33-,38-,40+,41-/m0/s1 |
| InChIKey | UJEBJUQQVRWYAG-SOFNOPICSA-N |
| Mol Weight | 686.8 g/mol |
| Molecular Formula | C42H38O9 |
| Exact Mass | 686.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELceR3FmOuK |
|---|---|
| Name | CALYXIN-I |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H38O9 |
| InChI | InChI=1S/C42H38O9/c1-49-36-23-35(48)37-33-22-32(20-6-24-2-12-28(43)13-3-24)50-40(26-8-16-30(45)17-9-26)38(33)41(27-10-18-31(46)19-11-27)51-42(37)39(36)34(47)21-7-25-4-14-29(44)15-5-25/h2-5,7-19,21,23,32-33,38,40-41,43-46,48H,6,20,22H2,1H3/b21-7+/t32-,33-,38-,40+,41-/m0/s1 |
| InChIKey | UJEBJUQQVRWYAG-SOFNOPICSA-N |
| Literature Reference Author | M.B.GEWALI,Y.TEZUKA,A.H.BANSKOTA,M.S.ALI,I.SAIKI,H.DONG,S.KA DOTA |
| Literature Reference Citation | ORG.LETTERS,1,1733(1999) |
| Literature Reference DOI | 10.1021/ol990260p |
| Molecular Weight | 686.758 g/mol |
| Sample ID | 32930 |
| Solvent | CD3OD |