| SpectraBase Compound ID | 5JQ5MLB1MGM |
|---|---|
| InChI | InChI=1S/C36H52O7/c1-20(2)25-18-31(42-23(5)38)36(11,43-24(6)39)26(25)13-12-21(3)32-27(40)19-29-34(9)17-15-30(41-22(4)37)33(7,8)28(34)14-16-35(29,32)10/h12-13,25-26,28-31H,1,14-19H2,2-11H3/b13-12+,32-21+/t25-,26-,28-,29-,30-,31+,34-,35-,36+/m0/s1 |
| InChIKey | CEDAETVGHBUTFR-VHFCBIDNSA-N |
| Mol Weight | 596.8 g/mol |
| Molecular Formula | C36H52O7 |
| Exact Mass | 596.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Je0fPNAxLVq |
|---|---|
| Name | RHABDASTIN_D_DIACETATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O7 |
| InChI | InChI=1S/C36H52O7/c1-20(2)25-18-31(42-23(5)38)36(11,43-24(6)39)26(25)13-12-21(3)32-27(40)19-29-34(9)17-15-30(41-22(4)37)33(7,8)28(34)14-16-35(29,32)10/h12-13,25-26,28-31H,1,14-19H2,2-11H3/b13-12+,32-21+/t25-,26-,28-,29-,30-,31+,34-,35-,36+/m0/s1 |
| InChIKey | CEDAETVGHBUTFR-VHFCBIDNSA-N |
| Literature Reference Author | M.HIRASHIMA,K.TSUDA,T.HAMADA,H.OKAMURA,T.FURUKAWA,S.I.AKIYAM A,Y.TAJITSU,R.IKEDA, |
| Literature Reference Citation | J.NAT.PROD.,73,1512(2010) |
| Literature Reference DOI | 10.1021/np100302a |
| Molecular Weight | 596.805 g/mol |
| Sample ID | 36321 |
| Solvent | CDCl3 |