| SpectraBase Compound ID | EP4VTNB4H9f |
|---|---|
| InChI | InChI=1S/C31H44O6/c1-18(2)21-9-10-23-22(28(21,5)14-13-26(33)34)11-15-30(7)25(12-16-29(23,30)6)31(8,37)17-24(32)19(3)20(4)27(35)36/h10-11,20-21,25,37H,1,3,9,12-17H2,2,4-8H3,(H,33,34)(H,35,36)/t20?,21-,25+,28+,29+,30-,31?/m1/s1 |
| InChIKey | GJTWWQXLOACZKG-STIXBJEESA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C31H44O6 |
| Exact Mass | 512.313789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HbQDPNMzYZd |
|---|---|
| Name | (+)-SPONGIPORIC-ACID-B;(+)-20-HYDROXY-23-OXO-3,4-SECO-LANOSTA-4(28),7(8),9(11),24(31)-TETRAENE-3,26-DICARBOXYLIC-ACID |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O6 |
| InChI | InChI=1S/C31H44O6/c1-18(2)21-9-10-23-22(28(21,5)14-13-26(33)34)11-15-30(7)25(12-16-29(23,30)6)31(8,37)17-24(32)19(3)20(4)27(35)36/h10-11,20-21,25,37H,1,3,9,12-17H2,2,4-8H3,(H,33,34)(H,35,36)/t20?,21-,25+,28+,29+,30-,31?/m1/s1 |
| InChIKey | GJTWWQXLOACZKG-STIXBJEESA-N |
| Literature Reference Author | F.C.ZIEGENBEIN,H.P.HANSSEN,W.A.KOENIG |
| Literature Reference Citation | PHYTOCHEM.,67,202(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.10.025 |
| Molecular Weight | 512.687 g/mol |
| Sample ID | 66026 |
| Solvent | CD3OD |