| SpectraBase Compound ID | KityNhB8w2X |
|---|---|
| InChI | InChI=1S/C33H42O15/c1-16(34)7-28(40)45-17(2)8-21-12-23(35)14-25(36)30(21)32(42)48-20(5)11-29(41)46-18(3)9-22-13-24(44-6)15-26(37)31(22)33(43)47-19(4)10-27(38)39/h12-20,34-37H,7-11H2,1-6H3,(H,38,39)/t16-,17+,18-,19+,20-/m1/s1 |
| InChIKey | CMDJCHRKKBHENM-UJMXGEILSA-N |
| Mol Weight | 678.7 g/mol |
| Molecular Formula | C33H42O15 |
| Exact Mass | 678.252371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2B85K5XJPne |
|---|---|
| Name | CALCARIDE-E |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O15 |
| InChI | InChI=1S/C33H42O15/c1-16(34)7-28(40)45-17(2)8-21-12-23(35)14-25(36)30(21)32(42)48-20(5)11-29(41)46-18(3)9-22-13-24(44-6)15-26(37)31(22)33(43)47-19(4)10-27(38)39/h12-20,34-37H,7-11H2,1-6H3,(H,38,39)/t16-,17+,18-,19+,20-/m1/s1 |
| InChIKey | CMDJCHRKKBHENM-UJMXGEILSA-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 | 678.687 g/mol |
| Source File Reference | UWBT6427 |