| SpectraBase Compound ID | 4jvFmajWM17 |
|---|---|
| InChI | InChI=1S/C45H34O18/c46-18-10-27(54)33-30(11-18)60-44(16-2-5-21(48)25(52)8-16)42(57)37(33)36-32(61-44)14-28(55)34-38-35-31(62-45(43(38)58,63-41(34)36)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)39(59-40(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-39,42-43,46-58H,12H2/t29-,37-,38-,39-,42-,43?,44+,45-/m1/s1 |
| InChIKey | PGKGIQLKUPNZFG-YHXUUQAZSA-N |
| Mol Weight | 862.7 g/mol |
| Molecular Formula | C45H34O18 |
| Exact Mass | 862.174514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Au8WdvEjgAX |
|---|---|
| Name | AESCULITANNIN-C |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H34O18 |
| InChI | InChI=1S/C45H34O18/c46-18-10-27(54)33-30(11-18)60-44(16-2-5-21(48)25(52)8-16)42(57)37(33)36-32(61-44)14-28(55)34-38-35-31(62-45(43(38)58,63-41(34)36)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)39(59-40(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-39,42-43,46-58H,12H2/t29-,37-,38-,39-,42-,43?,44+,45-/m1/s1 |
| InChIKey | PGKGIQLKUPNZFG-YHXUUQAZSA-N |
| Literature Reference Author | L.C.LIN,Y.C.KUO,C.J.CHOU |
| Literature Reference Citation | J.NAT.PROD.,65,505(2002) |
| Literature Reference DOI | 10.1021/np010414l |
| Molecular Weight | 862.754 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI5573 |