| SpectraBase Compound ID | 9NguBQIhzaD |
|---|---|
| InChI | InChI=1S/C33H40O15/c1-16-6-20-10-22(35)12-25(36)30(20)32(41)46-18(3)8-27(38)44-17(2)7-21-11-23(43-5)13-26(37)31(21)33(42)47-19(4)9-28(39)48-24(15-34)14-29(40)45-16/h10-13,16-19,24,34-37H,6-9,14-15H2,1-5H3/t16-,17-,18-,19-,24+/m1/s1 |
| InChIKey | VUCUKEQDILDEKZ-OPFZOXQFSA-N |
| Mol Weight | 676.7 g/mol |
| Molecular Formula | C33H40O15 |
| Exact Mass | 676.236721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJoIbMTucxF |
|---|---|
| Name | CALCARIDE-B |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O15 |
| InChI | InChI=1S/C33H40O15/c1-16-6-20-10-22(35)12-25(36)30(20)32(41)46-18(3)8-27(38)44-17(2)7-21-11-23(43-5)13-26(37)31(21)33(42)47-19(4)9-28(39)48-24(15-34)14-29(40)45-16/h10-13,16-19,24,34-37H,6-9,14-15H2,1-5H3/t16-,17-,18-,19-,24+/m1/s1 |
| InChIKey | VUCUKEQDILDEKZ-OPFZOXQFSA-N |
| Literature Reference Author | J.SILBER,B.OHLENDORF,A.LABES,A.ERHARD,J.F.IMHOFF |
| Literature Reference Citation | MAR.DRUGS,11,3309(2013) |
| Literature Reference DOI | 10.3390/md11093309 |
| Molecular Weight | 676.672 g/mol |
| Source File Reference | UWBT6424 |