| SpectraBase Compound ID | 3KJU2XnMIz |
|---|---|
| InChI | InChI=1S/C51H78O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,29,31,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-28,30,32-38H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+/t39-,40+,41-,44-,45+,46-,47+,48+,49-,50-,51-/m1/s1 |
| InChIKey | IXGDAVSSYHYPJX-LCUBQEEZSA-N |
| Mol Weight | 931.2 g/mol |
| Molecular Formula | C51H78O15 |
| Exact Mass | 930.534072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BgYLlpLmZHd |
|---|---|
| Name | DIGALACTOSYL-DIACYLGLYCEROL;(2S)-1-O-3,6,9,12,15-OCTADECAPENTAENOYL-2-O-6,9,12,15-OCTADECATETRAENOYL-3-O-[ALPHA-D-GALACTOPYRANOSYL-(1''''->6''')-O-BET |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H78O15 |
| InChI | InChI=1S/C51H78O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,29,31,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-28,30,32-38H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+/t39-,40+,41-,44-,45+,46-,47+,48+,49-,50-,51-/m1/s1 |
| InChIKey | IXGDAVSSYHYPJX-LCUBQEEZSA-N |
| Literature Reference Author | Y.HIRAGA,K.KAKU,D.OMODA,K.SUGIHARA,H.HOSOYA,M.HINO |
| Literature Reference Citation | J.NAT.PROD.,65,1494(2002) |
| Literature Reference DOI | 10.1021/np0201265 |
| Molecular Weight | 931.171 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7104 |