| SpectraBase Compound ID | JPmFOmpJjLN |
|---|---|
| InChI | InChI=1S/C37H58O7/c1-23(2)11-10-12-24(32(40)41)25-15-19-37(8)27-13-14-28-33(3,4)29(44-31(39)22-34(5,42)21-30(38)43-9)17-18-35(28,6)26(27)16-20-36(25,37)7/h11,24-25,28-29,42H,10,12-22H2,1-9H3,(H,40,41)/t24-,25+,28?,29+,34?,35+,36+,37-/m0/s1 |
| InChIKey | SMFKZHQECCGQOH-LGGSAYKDSA-N |
| Mol Weight | 614.9 g/mol |
| Molecular Formula | C37H58O7 |
| Exact Mass | 614.418254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXUWUir712Q |
|---|---|
| Name | FOMITOPSIC-ACID;3-ALPHA-(4-CARBOXYMETHYL-3-HYDROXY-3-METHYLBUTANOYLOXY)-LANOSTA-8,24-DIEN-21-OIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O7 |
| InChI | InChI=1S/C37H58O7/c1-23(2)11-10-12-24(32(40)41)25-15-19-37(8)27-13-14-28-33(3,4)29(44-31(39)22-34(5,42)21-30(38)43-9)17-18-35(28,6)26(27)16-20-36(25,37)7/h11,24-25,28-29,42H,10,12-22H2,1-9H3,(H,40,41)/t24-,25+,28?,29+,34?,35+,36+,37-/m0/s1 |
| InChIKey | SMFKZHQECCGQOH-LGGSAYKDSA-N |
| Literature Reference Author | A.C.KELLER,M.P.MAILLARD,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,41,1041(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00762-8 |
| Molecular Weight | 614.863 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4222 |