| SpectraBase Compound ID | LKUJqd4dD4u |
|---|---|
| InChI | InChI=1S/C33H40O15/c1-16-6-20-10-22(34)12-25(36)30(20)32(41)48-19(4)9-28(39)45-17(2)7-21-11-24(43-5)14-26(37)31(21)33(42)47-18(3)8-27(38)44-15-23(35)13-29(40)46-16/h10-12,14,16-19,23,34-37H,6-9,13,15H2,1-5H3/t16-,17-,18-,19-,23+/m1/s1 |
| InChIKey | HQPUTRDLMKWEQH-HEKOCPBTSA-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 | AaFTosKlmUE |
|---|---|
| Name | CALCARIDE-C |
| Compound Number | 8 |
| 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(34)12-25(36)30(20)32(41)48-19(4)9-28(39)45-17(2)7-21-11-24(43-5)14-26(37)31(21)33(42)47-18(3)8-27(38)44-15-23(35)13-29(40)46-16/h10-12,14,16-19,23,34-37H,6-9,13,15H2,1-5H3/t16-,17-,18-,19-,23+/m1/s1 |
| InChIKey | HQPUTRDLMKWEQH-HEKOCPBTSA-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 | UWBT6425 |