| SpectraBase Compound ID | 7Cv2vhfmz9p |
|---|---|
| InChI | InChI=1S/C33H42O16/c1-16(47-29(42)13-23(36)15-34)6-20-10-22(35)12-25(37)30(20)32(43)49-19(4)9-28(41)46-17(2)7-21-11-24(45-5)14-26(38)31(21)33(44)48-18(3)8-27(39)40/h10-12,14,16-19,23,34-38H,6-9,13,15H2,1-5H3,(H,39,40)/t16-,17+,18-,19+,23+/m1/s1 |
| InChIKey | UIVWEKMYYMKGGR-VCFUNXJFSA-N |
| Mol Weight | 694.7 g/mol |
| Molecular Formula | C33H42O16 |
| Exact Mass | 694.247285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UehAJWJ7SN |
|---|---|
| Name | CALCARIDE-D |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O16 |
| InChI | InChI=1S/C33H42O16/c1-16(47-29(42)13-23(36)15-34)6-20-10-22(35)12-25(37)30(20)32(43)49-19(4)9-28(41)46-17(2)7-21-11-24(45-5)14-26(38)31(21)33(44)48-18(3)8-27(39)40/h10-12,14,16-19,23,34-38H,6-9,13,15H2,1-5H3,(H,39,40)/t16-,17+,18-,19+,23+/m1/s1 |
| InChIKey | UIVWEKMYYMKGGR-VCFUNXJFSA-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 | 694.687 g/mol |
| Source File Reference | UWBT6426 |