| SpectraBase Compound ID | Ev4cm5YUkyV |
|---|---|
| InChI | InChI=1S/C43H70O11/c1-38(2)18-20-43(37(45)52-13)21-19-40(4)25(26(43)22-38)14-15-29-39(3)23-27(47-8)34(42(6,36(44)51-12)30(39)16-17-41(29,40)5)54-35-33(50-11)32(49-10)31(48-9)28(53-35)24-46-7/h14,26-35H,15-24H2,1-13H3/t26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,39-,40-,41-,42-,43+/m1/s1 |
| InChIKey | LZFMDXUIIQXCSD-KSAQOOIQSA-N |
| Mol Weight | 763.0 g/mol |
| Molecular Formula | C43H70O11 |
| Exact Mass | 762.491813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jd39jOQNftF |
|---|---|
| Name | Medicagenic acid - glycoside - hepta - o-methyl derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 762.491813063 u |
| Formula | C43H70O11 |
| InChI | InChI=1S/C43H70O11/c1-38(2)18-20-43(37(45)52-13)21-19-40(4)25(26(43)22-38)14-15-29-39(3)23-27(47-8)34(42(6,36(44)51-12)30(39)16-17-41(29,40)5)54-35-33(50-11)32(49-10)31(48-9)28(53-35)24-46-7/h14,26-35H,15-24H2,1-13H3/t26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,39-,40-,41-,42-,43+/m1/s1 |
| InChIKey | LZFMDXUIIQXCSD-KSAQOOIQSA-N |
| Molecular Weight | 763.022 g/mol |
| SMILES | [C@@]1(C2[C@](C3CC=C4[C@]([C@@]3(CC2)C)(CC[C@@]2(C(=O)OC)CCC(CC42)(C)C)C)(C)CC(C1OC1C(C(OC)C(C(O1)COC)OC)OC)OC)(C(=O)OC)C |