| SpectraBase Compound ID | C4JuNsWD2un |
|---|---|
| InChI | InChI=1S/C32H58O16/c1-4-12-18(13-10-8-6-5-7-9-11-14-20(34)35)45-31-28(25(40)22(37)17(3)44-31)48-32-29(26(41)23(38)19(15-33)46-32)47-30-27(42)24(39)21(36)16(2)43-30/h16-19,21-33,36-42H,4-15H2,1-3H3,(H,34,35)/t16-,17+,18-,19+,21-,22+,23+,24+,25-,26-,27+,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey | GGULKEHQLYESHT-RBSPQUCMSA-N |
| Mol Weight | 698.8 g/mol |
| Molecular Formula | C32H58O16 |
| Exact Mass | 698.372486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80Ze6QktGHE |
|---|---|
| Name | PORANIC-ACID-A;(11S)-HYDROXYTETRADECANOIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-QUINOVOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H58O16 |
| InChI | InChI=1S/C32H58O16/c1-4-12-18(13-10-8-6-5-7-9-11-14-20(34)35)45-31-28(25(40)22(37)17(3)44-31)48-32-29(26(41)23(38)19(15-33)46-32)47-30-27(42)24(39)21(36)16(2)43-30/h16-19,21-33,36-42H,4-15H2,1-3H3,(H,34,35)/t16-,17+,18-,19+,21-,22+,23+,24+,25-,26-,27+,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey | GGULKEHQLYESHT-RBSPQUCMSA-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 | 698.803 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA9040 |