| SpectraBase Compound ID | 2a2dz2VWKJo |
|---|---|
| InChI | InChI=1S/C25H32O7/c1-7-11(2)19(26)29-18-13(4)10-23-21-22(6,31-21)17-15(25(18,23)32-23)12(3)8-9-24(28)16(17)14(5)20(27)30-24/h11,13,15,17-18,21,28H,3,7-10H2,1-2,4-6H3/t11-,13+,15+,17-,18+,21-,22-,23-,24-,25-/m0/s1 |
| InChIKey | RTKJTFDVRXWHAS-IDHJWGLASA-N |
| Mol Weight | 444.5 g/mol |
| Molecular Formula | C25H32O7 |
| Exact Mass | 444.214803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRh0gJ4MsnO |
|---|---|
| Name | CROTOCASCARIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O7 |
| InChI | InChI=1S/C25H32O7/c1-7-11(2)19(26)29-18-13(4)10-23-21-22(6,31-21)17-15(25(18,23)32-23)12(3)8-9-24(28)16(17)14(5)20(27)30-24/h11,13,15,17-18,21,28H,3,7-10H2,1-2,4-6H3/t11-,13+,15+,17-,18+,21-,22-,23-,24-,25-/m0/s1 |
| InChIKey | RTKJTFDVRXWHAS-IDHJWGLASA-N |
| Literature Reference Author | S.KAWAKAMI,H.TOYODA,L.HARINANTENAINA,K.MATSUNAMI,H.OTSUKA,T. SHINZATO,Y.TAKEDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,61,411(2013) |
| Literature Reference DOI | 10.1248/cpb.c12-01002 |
| Molecular Weight | 444.525 g/mol |
| Source File Reference | UWBT4886 |