| SpectraBase Compound ID | DP9p9BSsVXH |
|---|---|
| InChI | InChI=1S/C29H40O10/c1-15-9-22(31)29(35)24(37-15)38-20-10-16-3-4-19-18(26(16,14-30)12-21(20)39-29)5-6-25(2)27(33,7-8-28(19,25)34)17-11-23(32)36-13-17/h11,14-16,18-22,24,31,33-35H,3-10,12-13H2,1-2H3/t15-,16+,18+,19-,20-,21-,22-,24+,25-,26-,27-,28+,29+/m1/s1 |
| InChIKey | ZROMRLOBUYCHGL-VPZZBVMUSA-N |
| Mol Weight | 548.6 g/mol |
| Molecular Formula | C29H40O10 |
| Exact Mass | 548.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jr9Umm1z2pe |
|---|---|
| Name | 17-BETA-HYDROXYCALACTIN |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O10 |
| InChI | InChI=1S/C29H40O10/c1-15-9-22(31)29(35)24(37-15)38-20-10-16-3-4-19-18(26(16,14-30)12-21(20)39-29)5-6-25(2)27(33,7-8-28(19,25)34)17-11-23(32)36-13-17/h11,14-16,18-22,24,31,33-35H,3-10,12-13H2,1-2H3/t15-,16+,18+,19-,20-,21-,22-,24+,25-,26-,27-,28+,29+/m1/s1 |
| InChIKey | ZROMRLOBUYCHGL-VPZZBVMUSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,37,217(1994) |
| Literature Reference DOI | 10.1016/0031-9422(94)85029-1 |
| Molecular Weight | 548.631 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23055 |