![4-[3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA-HYDROXYANDROST-4-EN-17-BETA-YL]-1,2-BENZENEDIMETHANOL](/api/spectrum/L22R0QV18oT/structure.png?h=300&w=458 "4-[3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA-HYDROXYANDROST-4-EN-17-BETA-YL]-1,2-BENZENEDIMETHANOL")
| SpectraBase Compound ID | 2Da1fmKV5Yx |
|---|---|
| InChI | InChI=1S/C33H48O8/c1-18-27(36)28(37)29(38)30(40-18)41-23-8-11-31(2)22(15-23)6-7-26-25(31)9-12-32(3)24(10-13-33(26,32)39)19-4-5-20(16-34)21(14-19)17-35/h4-5,14-15,18,23-30,34-39H,6-13,16-17H2,1-3H3/t18-,23-,24+,25-,26+,27-,28+,29+,30+,31-,32+,33-/m0/s1 |
| InChIKey | QJFFZZVORUZYJU-QAAJWOMISA-N |
| Mol Weight | 572.7 g/mol |
| Molecular Formula | C33H48O8 |
| Exact Mass | 572.334918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L22R0QV18oT |
|---|---|
| Name | 4-[3-BETA-[(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-BETA-HYDROXYANDROST-4-EN-17-BETA-YL]-1,2-BENZENEDIMETHANOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O8 |
| InChI | InChI=1S/C33H48O8/c1-18-27(36)28(37)29(38)30(40-18)41-23-8-11-31(2)22(15-23)6-7-26-25(31)9-12-32(3)24(10-13-33(26,32)39)19-4-5-20(16-34)21(14-19)17-35/h4-5,14-15,18,23-30,34-39H,6-13,16-17H2,1-3H3/t18-,23-,24+,25-,26+,27-,28+,29+,30+,31-,32+,33-/m0/s1 |
| InChIKey | QJFFZZVORUZYJU-QAAJWOMISA-N |
| Literature Reference Author | J.MORI,S.I.NAGAI,J.SAKAKIBARA,K.TAKEYA,Y.HOTTA |
| Literature Reference Citation | CHEM.PHARM.BULL.,36,48(1988) |
| Literature Reference DOI | 10.1248/cpb.36.48 |
| Molecular Weight | 572.739 g/mol |
| Solvent | CDCl3:DMSO-D6=1:2 |
| Source File Reference | UWBK1317 |