| SpectraBase Compound ID | BrqIffTHlUC |
|---|---|
| InChI | InChI=1S/C35H54O7/c1-20(31(38)39)11-12-26(41-22(3)36)21(2)24-13-18-35(9)30-25(14-17-34(24,35)8)33(7)16-15-29(42-23(4)37)32(5,6)28(33)19-27(30)40-10/h11,21,24,26-29H,12-19H2,1-10H3,(H,38,39)/b20-11+/t21-,24+,26?,27+,28-,29+,33+,34+,35-/m0/s1 |
| InChIKey | UBGHTOOEMRLEGM-BNLLJBCVSA-N |
| Mol Weight | 586.8 g/mol |
| Molecular Formula | C35H54O7 |
| Exact Mass | 586.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QsAiDxcWSb |
|---|---|
| Name | GANODERIC-ACID-MD;3-ALPHA,22-DIACETOXY-7-ALPHA-METHOXY-5-ALPHA-LANOST-8,(24E)-DIEN-26-OIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O7 |
| InChI | InChI=1S/C35H54O7/c1-20(31(38)39)11-12-26(41-22(3)36)21(2)24-13-18-35(9)30-25(14-17-34(24,35)8)33(7)16-15-29(42-23(4)37)32(5,6)28(33)19-27(30)40-10/h11,21,24,26-29H,12-19H2,1-10H3,(H,38,39)/b20-11+/t21-,24+,26?,27+,28-,29+,33+,34+,35-/m0/s1 |
| InChIKey | UBGHTOOEMRLEGM-BNLLJBCVSA-N |
| Literature Reference Author | T.NISHITOBA,H.SATO,S.SHIRASU,S.SAKAMURA |
| Literature Reference Citation | AGR.BIOL.CHEM.,51,619(1987) |
| Literature Reference DOI | 10.1271/bbb1961.51.619 |
| Molecular Weight | 586.810 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT8109 |