| SpectraBase Compound ID | 81OrAytBeQt |
|---|---|
| InChI | InChI=1S/C49H82O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h6,8,11-14,17-19,22,37-39,42-50,53-58H,3-5,7,9-10,15-16,20-21,23-36H2,1-2H3/b8-6-,13-11-,14-12-,18-17-,22-19-/t37-,38+,39-,42-,43+,44-,45+,46+,47-,48-,49-/m1/s1 |
| InChIKey | KLNMHBHNJKAFAF-XXKAKXIPSA-N |
| Mol Weight | 911.2 g/mol |
| Molecular Formula | C49H82O15 |
| Exact Mass | 910.565372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5U00YBG4TI |
|---|---|
| Name | (2S)-1-O-(9Z,12Z)-OCTADECADIENOYL-2-O-(7Z,10Z,13Z)-HEXADECATRIENOYL-3-O-(ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL)-SN-GLYCEROL |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H82O15 |
| InChI | InChI=1S/C49H82O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h6,8,11-14,17-19,22,37-39,42-50,53-58H,3-5,7,9-10,15-16,20-21,23-36H2,1-2H3/b8-6-,13-11-,14-12-,18-17-,22-19-/t37-,38+,39-,42-,43+,44-,45+,46+,47-,48-,49-/m1/s1 |
| InChIKey | KLNMHBHNJKAFAF-XXKAKXIPSA-N |
| Literature Reference Author | T.MORIMOTO,A.NAGATSU,N.MURAKAMI,J.SAKAKIBARA,H.TOKUDA,H.NISH INO,A.IWASHIMA |
| Literature Reference Citation | PHYTOCHEM.,40,1433(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00458-J |
| Molecular Weight | 911.181 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS2896 |