| SpectraBase Compound ID | 3kFlF1SpIX7 |
|---|---|
| InChI | InChI=1S/C53H84O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h10-11,13-14,16-17,25-27,38-39,41-46,48-51,55-57H,3,8-9,12,15,18-24,28-36H2,1-2,4-7H3/b11-10-,14-13-,17-16-,26-25+/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1 |
| InChIKey | LSJJKXSDKKURDV-ABFBYGKOSA-N |
| Mol Weight | 833.2 g/mol |
| Molecular Formula | C53H84O7 |
| Exact Mass | 832.621705 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPjTUrOG2pb |
|---|---|
| Name | 3-O-(6'-O-LINOLENOYL-BETA-D-GLUCOPYRANOSYL)-22-DEHYDROCLEROSTEROL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O7 |
| InChI | InChI=1S/C53H84O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h10-11,13-14,16-17,25-27,38-39,41-46,48-51,55-57H,3,8-9,12,15,18-24,28-36H2,1-2,4-7H3/b11-10-,14-13-,17-16-,26-25+/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1 |
| InChIKey | LSJJKXSDKKURDV-ABFBYGKOSA-N |
| Literature Reference Author | S.G.LEITAO,M.A.C.KAPLAN,F.D.MONACHE |
| Literature Reference Citation | PHYTOCHEM.,36,167(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97032-8 |
| Molecular Weight | 833.246 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU25931 |