| SpectraBase Compound ID | Ixv46eZCejh |
|---|---|
| InChI | InChI=1S/C28H46O7/c1-15(2)26(5,33)14-23(32)27(6,34)22-8-10-28(35)17-11-19(29)18-12-20(30)21(31)13-24(18,3)16(17)7-9-25(22,28)4/h11,15-16,18,20-23,30-35H,7-10,12-14H2,1-6H3/t16?,18-,20+,21-,22-,23+,24+,25+,26-,27-,28+/m0/s1 |
| InChIKey | YXPVYQIMXPYFSF-CONUMKSUSA-N |
| Mol Weight | 494.7 g/mol |
| Molecular Formula | C28H46O7 |
| Exact Mass | 494.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9KbSvAbtSqJ |
|---|---|
| Name | PANUOSTERONE;2-BETA,3-BETA,14-ALPHA,20R,22R,24R-HEXAHYDROXY-5-BETA-ERGOST-7-EN-6-ONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O7 |
| InChI | InChI=1S/C28H46O7/c1-15(2)26(5,33)14-23(32)27(6,34)22-8-10-28(35)17-11-19(29)18-12-20(30)21(31)13-24(18,3)16(17)7-9-25(22,28)4/h11,15-16,18,20-23,30-35H,7-10,12-14H2,1-6H3/t16?,18-,20+,21-,22-,23+,24+,25+,26-,27-,28+/m0/s1 |
| InChIKey | YXPVYQIMXPYFSF-CONUMKSUSA-N |
| Literature Reference Author | K.VOKAC,M.BUDESINSKY,J.HARMATHA,J.KOHOUTOVA |
| Literature Reference Citation | PHYTOCHEM.,49,2109(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00448-8 |
| Molecular Weight | 494.669 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU870 |