| SpectraBase Compound ID | J12ekH5w83f |
|---|---|
| InChI | InChI=1S/C27H42O8/c1-13(29)17-6-7-18-16-5-4-14-10-15(34-25-24(33)23(32)22(31)20(12-28)35-25)11-21(30)27(14,3)19(16)8-9-26(17,18)2/h6,14-16,18-25,28,30-33H,4-5,7-12H2,1-3H3/t14-,15-,16?,18?,19?,20+,21+,22+,23-,24+,25+,26+,27-/m0/s1 |
| InChIKey | GZFXZHNIBHDYRA-MJELWEJWSA-N |
| Mol Weight | 494.6 g/mol |
| Molecular Formula | C27H42O8 |
| Exact Mass | 494.287968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bzat2yLaeck |
|---|---|
| Name | 1-BETA,3-ALPHA-DIHYDROXY-5-ALPHA-PREGN-16-EN-20-ONE-3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O8 |
| InChI | InChI=1S/C27H42O8/c1-13(29)17-6-7-18-16-5-4-14-10-15(34-25-24(33)23(32)22(31)20(12-28)35-25)11-21(30)27(14,3)19(16)8-9-26(17,18)2/h6,14-16,18-25,28,30-33H,4-5,7-12H2,1-3H3/t14-,15-,16?,18?,19?,20+,21+,22+,23-,24+,25+,26+,27-/m0/s1 |
| InChIKey | GZFXZHNIBHDYRA-MJELWEJWSA-N |
| Literature Reference Author | Y.MIMAKI,Y.TAKAASHI,M.KURODA,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,45,1229(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00109-X |
| Molecular Weight | 494.626 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP521 |