![31-Hydroxy-32,33,34,35,36-pentamethoxyheptacyclo[25.3.1.1(2,6).1(7,11).1(12,16).1(17,21).1(22,26)]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16(34),17,19,21(33),22,24,26(32)27,29-octadecaene](/api/spectrum/C934iq8PcJk/structure.png?h=300&w=458 "31-Hydroxy-32,33,34,35,36-pentamethoxyheptacyclo[25.3.1.1(2,6).1(7,11).1(12,16).1(17,21).1(22,26)]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16(34),17,19,21(33),22,24,26(32)27,29-octadecaene")
| SpectraBase Compound ID | CLPWWeJhpm7 |
|---|---|
| InChI | InChI=1S/C41H34O6/c1-43-37-26-14-7-16-28(37)30-18-9-20-32(39(30)45-3)34-22-11-23-35(41(34)47-5)33-21-10-19-31(40(33)46-4)29-17-8-15-27(38(29)44-2)25-13-6-12-24(26)36(25)42/h6-23,42H,1-5H3 |
| InChIKey | DVWDKDVGEJNNCE-UHFFFAOYSA-N |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C41H34O6 |
| Exact Mass | 622.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C934iq8PcJk |
|---|---|
| Name | 31-Hydroxy-32,33,34,35,36-pentamethoxyheptacyclo[25.3.1.1(2,6).1(7,11).1(12,16).1(17,21).1(22,26)]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16(34),17,19,21(33),22,24,26(32)27,29-octadecaene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 622.235538809 u |
| Formula | C41H34O6 |
| InChI | InChI=1S/C41H34O6/c1-43-37-26-14-7-16-28(37)30-18-9-20-32(39(30)45-3)34-22-11-23-35(41(34)47-5)33-21-10-19-31(40(33)46-4)29-17-8-15-27(38(29)44-2)25-13-6-12-24(26)36(25)42/h6-23,42H,1-5H3 |
| InChIKey | DVWDKDVGEJNNCE-UHFFFAOYSA-N |
| Molecular Weight | 622.717 g/mol |
| SMILES | C=1(C=2C3=C(C(C4=C(C(C=5C=CC=C(C5OC)C5=C(C(C6=C(C(C1C=CC2)=CC=C6)OC)=CC=C5)OC)=CC=C4)OC)=CC=C3)OC)O |