| SpectraBase Compound ID | 5JYjj5u6uqb |
|---|---|
| InChI | InChI=1S/C27H44O8/c1-26-9-7-15(34-25-24(33)23(32)22(31)21(13-29)35-25)11-14(26)3-4-16-17-5-6-19(20(30)12-28)27(17,2)10-8-18(16)26/h14-19,21-25,28-29,31-33H,3-13H2,1-2H3/t14-,15-,16-,17-,18-,19+,21+,22+,23-,24+,25+,26-,27-/m0/s1 |
| InChIKey | GBCBOSGTSVISCM-XVUJJMFFSA-N |
| Mol Weight | 496.6 g/mol |
| Molecular Formula | C27H44O8 |
| Exact Mass | 496.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B6V3AusY3TS |
|---|---|
| Name | 3-BETA,21-DIHYDROXY-5-ALPHA-PREGNAN-20-ONE-3-BETA-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O8 |
| InChI | InChI=1S/C27H44O8/c1-26-9-7-15(34-25-24(33)23(32)22(31)21(13-29)35-25)11-14(26)3-4-16-17-5-6-19(20(30)12-28)27(17,2)10-8-18(16)26/h14-19,21-25,28-29,31-33H,3-13H2,1-2H3/t14-,15-,16-,17-,18-,19+,21+,22+,23-,24+,25+,26-,27-/m0/s1 |
| InChIKey | GBCBOSGTSVISCM-XVUJJMFFSA-N |
| Literature Reference Author | R.M.DEPADUA,N.MEITINGER,J.D.D.S.FILHO,R.WAIBEL,P.GMEINER,F.C .BRAGA,W.KREIS |
| Literature Reference Citation | STEROIDS,77,1373(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.07.016 |
| Molecular Weight | 496.642 g/mol |
| Sample ID | 70732 |
| Solvent | CD3OD |