| SpectraBase Compound ID | 12vdy0eh1gf |
|---|---|
| InChI | InChI=1S/C38H66O18/c1-7-14-23(16-13-11-9-10-12-15-22(40)17-25(41)49-6)52-37-33(28(44)26(42)20(4)50-37)56-38-34(29(45)27(43)24(18-39)53-38)55-36-31(47)30(46)32(21(5)51-36)54-35(48)19(3)8-2/h8,20-24,26-34,36-40,42-47H,7,9-18H2,1-6H3/b19-8-/t20-,21+,22-,23+,24-,26-,27-,28+,29+,30+,31-,32+,33-,34-,36+,37+,38+/m0/s1 |
| InChIKey | HUPBQXHCGGAPCS-DMSVBDQBSA-N |
| Mol Weight | 810.9 g/mol |
| Molecular Formula | C38H66O18 |
| Exact Mass | 810.424915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4e1RlmH9J0j |
|---|---|
| Name | #3;PORANASIDE-A;(3S,11S)-DIHYDROXYTETRADECANOIC-ACID-11-O-(4-O-ANGELOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-QUINOVOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H66O18 |
| InChI | InChI=1S/C38H66O18/c1-7-14-23(16-13-11-9-10-12-15-22(40)17-25(41)49-6)52-37-33(28(44)26(42)20(4)50-37)56-38-34(29(45)27(43)24(18-39)53-38)55-36-31(47)30(46)32(21(5)51-36)54-35(48)19(3)8-2/h8,20-24,26-34,36-40,42-47H,7,9-18H2,1-6H3/b19-8-/t20-,21+,22-,23+,24-,26-,27-,28+,29+,30+,31-,32+,33-,34-,36+,37+,38+/m0/s1 |
| InChIKey | HUPBQXHCGGAPCS-DMSVBDQBSA-N |
| Literature Reference Author | W.B.DING,D.G.ZHANG,C.J.LIU,G.H.LI,Y.Z.LI |
| Literature Reference Citation | J.AS.NAT.PROD.RES.,16,135(2014) |
| Molecular Weight | 810.931 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA9042 |