| SpectraBase Compound ID | 4rrXNAumOsZ |
|---|---|
| InChI | InChI=1S/C28H32O15/c1-28(38,9-21(32)33)10-22(34)40-11-20-24(35)25(36)26(37)27(43-20)42-16-4-3-12(5-18(16)39-2)17-8-15(31)23-14(30)6-13(29)7-19(23)41-17/h3-7,17,20,24-27,29-30,35-38H,8-11H2,1-2H3,(H,32,33)/t17-,20-,24-,25+,26-,27-,28?/m0/s1 |
| InChIKey | UPNCUHXSXDKPOM-IUBYZPCXSA-N |
| Mol Weight | 608.5 g/mol |
| Molecular Formula | C28H32O15 |
| Exact Mass | 608.17412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1l0SC4pgUjM |
|---|---|
| Name | 4'-BETA-D-GLUCOSYL-2-S-HOMOERIODICTOYL-6''-O-3-HYDROXY-3-METHYLGLUTARATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O15 |
| InChI | InChI=1S/C28H32O15/c1-28(38,9-21(32)33)10-22(34)40-11-20-24(35)25(36)26(37)27(43-20)42-16-4-3-12(5-18(16)39-2)17-8-15(31)23-14(30)6-13(29)7-19(23)41-17/h3-7,17,20,24-27,29-30,35-38H,8-11H2,1-2H3,(H,32,33)/t17-,20-,24-,25+,26-,27-,28?/m0/s1 |
| InChIKey | UPNCUHXSXDKPOM-IUBYZPCXSA-N |
| Literature Reference Author | H.NAKAGAWA,Y.TAKAISHI,N.TANAKA,K.TSUCHIYA,H.SHIBATA,T.HIGUTI |
| Literature Reference Citation | J.NAT.PROD.,69,1177(2006) |
| Literature Reference DOI | 10.1021/np060217s |
| Molecular Weight | 608.553 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ15569 |