| SpectraBase Compound ID | 1QEYSpsS7vm |
|---|---|
| InChI | InChI=1S/C45H44O11/c1-28-25-35(53-40(48)31-19-11-6-12-20-31)38(52-29(2)46)44(27-51-39(47)30-17-9-5-10-18-30)36(54-41(49)32-21-13-7-14-22-32)26-34-37(45(28,44)56-43(34,3)4)55-42(50)33-23-15-8-16-24-33/h5-24,28,34-38H,25-27H2,1-4H3/t28-,34-,35+,36+,37-,38+,44-,45-/m1/s1 |
| InChIKey | CZZSDKFRUYZLHU-DQSPPWPVSA-N |
| Mol Weight | 760.8 g/mol |
| Molecular Formula | C45H44O11 |
| Exact Mass | 760.288362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10JnahRFcUP |
|---|---|
| Name | 1-ALPHA-ACETOXY-2-ALPHA,6-BETA,9-BETA,15-TETRABENZOYLOXY-BETA-DIHYDROAGAROFURAN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H44O11 |
| InChI | InChI=1S/C45H44O11/c1-28-25-35(53-40(48)31-19-11-6-12-20-31)38(52-29(2)46)44(27-51-39(47)30-17-9-5-10-18-30)36(54-41(49)32-21-13-7-14-22-32)26-34-37(45(28,44)56-43(34,3)4)55-42(50)33-23-15-8-16-24-33/h5-24,28,34-38H,25-27H2,1-4H3/t28-,34-,35+,36+,37-,38+,44-,45-/m1/s1 |
| InChIKey | CZZSDKFRUYZLHU-DQSPPWPVSA-N |
| Literature Reference Author | J.J.CHEN,T.H.CHOU,C.Y.DUH,I.S.CHEN |
| Literature Reference Citation | J.NAT.PROD.,69,685(2006) |
| Literature Reference DOI | 10.1021/np050458k |
| Molecular Weight | 760.838 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ18307 |