| SpectraBase Compound ID | CMvbn597I3K |
|---|---|
| InChI | InChI=1S/C42H34O21/c43-20(7-6-15-4-2-1-3-5-15)30-21(44)10-17(11-22(30)45)60-42-36(55)38(63-39(56)16-8-23(46)31(50)24(47)9-16)37-27(61-42)14-59-40(57)18-12-25(48)32(51)34(53)28(18)29-19(41(58)62-37)13-26(49)33(52)35(29)54/h1-5,8-13,27,36-38,42,44-55H,6-7,14H2/t27-,36-,37-,38-,42-/m1/s1 |
| InChIKey | XQVKQEFQGYTUAR-VHBRHXFYSA-N |
| Mol Weight | 874.7 g/mol |
| Molecular Formula | C42H34O21 |
| Exact Mass | 874.159258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IqmGMbMbUjy |
|---|---|
| Name | THONNINGIANIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H34O21 |
| InChI | InChI=1S/C42H34O21/c43-20(7-6-15-4-2-1-3-5-15)30-21(44)10-17(11-22(30)45)60-42-36(55)38(63-39(56)16-8-23(46)31(50)24(47)9-16)37-27(61-42)14-59-40(57)18-12-25(48)32(51)34(53)28(18)29-19(41(58)62-37)13-26(49)33(52)35(29)54/h1-5,8-13,27,36-38,42,44-55H,6-7,14H2/t27-,36-,37-,38-,42-/m1/s1 |
| InChIKey | XQVKQEFQGYTUAR-VHBRHXFYSA-N |
| Literature Reference Author | I.I.OHTANI,N.GOTOH,J.TANAKA,T.HIGA,M.A.GYAMFI,Y.ANIYA |
| Literature Reference Citation | J.NAT.PROD.,63,676(2000) |
| Literature Reference DOI | 10.1021/np990396w |
| Molecular Weight | 874.719 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS25547 |