| SpectraBase Compound ID | 1FEnHTjGoQF |
|---|---|
| InChI | InChI=1S/C43H68O14/c1-38(2)15-17-43(37(52)57-35-31(49)28(46)27(45)23(20-44)54-35)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-32(50)29(47)30(48)33(56-36)34(51)53-8/h9,22-33,35-36,44-50H,10-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32+,33-,35-,36+,40?,41?,42?,43-/m0/s1 |
| InChIKey | XPORLJWHBRUXGD-OJNZMATRSA-N |
| Mol Weight | 809.0 g/mol |
| Molecular Formula | C43H68O14 |
| Exact Mass | 808.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97iehyGhz1p |
|---|---|
| Name | CHIKUSETSUSAPONIN-IVA-METHYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O14 |
| InChI | InChI=1S/C43H68O14/c1-38(2)15-17-43(37(52)57-35-31(49)28(46)27(45)23(20-44)54-35)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-32(50)29(47)30(48)33(56-36)34(51)53-8/h9,22-33,35-36,44-50H,10-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32+,33-,35-,36+,40?,41?,42?,43-/m0/s1 |
| InChIKey | XPORLJWHBRUXGD-OJNZMATRSA-N |
| Literature Reference Author | S.SAKAI,M.KATSUMATA,Y.SATOH,M.NAGASAO,M.MIYAKOSHI,Y.IDA,J.SH OJI |
| Literature Reference Citation | PHYTOCHEM.,35,1319(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94846-5 |
| Molecular Weight | 809.005 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS24548 |