| SpectraBase Compound ID | I69VH3wLVUZ |
|---|---|
| InChI | InChI=1S/C31H38O7/c1-19(10-8-12-26(33)34)9-7-11-21(3)28(35)22(4)29(36)38-24-18-20(2)17-23-13-15-30(5)31(6,27(23)24)25(32)14-16-37-30/h7-17,20,22,24,27-28,35H,18H2,1-6H3,(H,33,34)/b9-7+,12-8+,19-10+,21-11+/t20-,22-,24+,27-,28-,30-,31-/m1/s1 |
| InChIKey | XZKXUILQCBAMTL-ZOKWAMKCSA-N |
| Mol Weight | 522.6 g/mol |
| Molecular Formula | C31H38O7 |
| Exact Mass | 522.261754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3hpLPg1apiq |
|---|---|
| Name | CALBISTRIN-E |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O7 |
| InChI | InChI=1S/C31H38O7/c1-19(10-8-12-26(33)34)9-7-11-21(3)28(35)22(4)29(36)38-24-18-20(2)17-23-13-15-30(5)31(6,27(23)24)25(32)14-16-37-30/h7-17,20,22,24,27-28,35H,18H2,1-6H3,(H,33,34)/b9-7+,12-8+,19-10+,21-11+/t20-,22-,24+,27-,28-,30-,31-/m1/s1 |
| InChIKey | XZKXUILQCBAMTL-ZOKWAMKCSA-N |
| Literature Reference Author | M.STEWART,R.J.CAPON,E.LACEY,S.TENNANT,J.H.GILL |
| Literature Reference Citation | J.NAT.PROD.,68,581(2005) |
| Literature Reference DOI | 10.1021/np049614y |
| Molecular Weight | 522.639 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ9355 |