| SpectraBase Compound ID | LjtkziA69jT |
|---|---|
| InChI | InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17?,19?,20?,21-,22-,23?,25?,26?,27+,28-,29+,30-/m0/s1 |
| InChIKey | XQCGNURMLWFQJR-QDQGHIPYSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C30H44O9 |
| Exact Mass | 548.298533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGohTRzi26U |
|---|---|
| Name | Cymarine |
| CAS Registry Number | 508-77-0 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H44O9 |
| InChI | InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17?,19?,20?,21-,22-,23?,25?,26?,27+,28-,29+,30-/m0/s1 |
| InChIKey | XQCGNURMLWFQJR-QDQGHIPYSA-N |
| Instrument Name | SF = 090 MHz |
| Literature Reference | J. Nat. Products 50, 211 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |