| SpectraBase Compound ID | HxXHT62F6w |
|---|---|
| InChI | InChI=1S/C28H48O14/c1-12-22(30)27(35-8)23(31)28(39-12)42-26-15(4)38-21(11-18(26)34-7)41-25-14(3)37-20(10-17(25)33-6)40-24-13(2)36-19(29)9-16(24)32-5/h12-18,20-28,30-31H,9-11H2,1-8H3/t12-,13-,14+,15-,16+,17-,18+,20-,21+,22-,23-,24-,25+,26-,27-,28+/m0/s1 |
| InChIKey | JXQZETJUQZTUJI-SOHLYWFDSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C28H48O14 |
| Exact Mass | 608.304406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B7AYq5EiMLp |
|---|---|
| Name | 6-DEOXY-3-O-METHYL-BETA-ALLOPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSYL-(1->4)-BETA-CYMARONIC-ACID-DELTA-LACTONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H48O14 |
| InChI | InChI=1S/C28H48O14/c1-12-22(30)27(35-8)23(31)28(39-12)42-26-15(4)38-21(11-18(26)34-7)41-25-14(3)37-20(10-17(25)33-6)40-24-13(2)36-19(29)9-16(24)32-5/h12-18,20-28,30-31H,9-11H2,1-8H3/t12-,13-,14+,15-,16+,17-,18+,20-,21+,22-,23-,24-,25+,26-,27-,28+/m0/s1 |
| InChIKey | JXQZETJUQZTUJI-SOHLYWFDSA-N |
| Literature Reference Author | K.YOSHIKAWA,H.NISHINO,S.ARIHARA,H.C.CHANG,J.D.WANG |
| Literature Reference Citation | J.NAT.PROD.,63,146(2000) |
| Literature Reference DOI | 10.1021/np990368d |
| Molecular Weight | 608.681 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU1771 |