| SpectraBase Compound ID | 5V3VJ8KjS2C |
|---|---|
| InChI | InChI=1S/C48H78O17/c1-20-28(52)31(55)34(58)40(59-20)63-36-33(57)30(54)25(18-49)61-42(36)64-35-32(56)29(53)21(2)60-41(35)62-27-11-12-45(7)26(44(27,5)6)10-13-46(8)37(45)24(51)16-22-23-17-43(3,4)14-15-48(23,19-50)39-38(65-39)47(22,46)9/h16,20-21,23-42,49-58H,10-15,17-19H2,1-9H3/t20-,21+,23-,24+,25+,26-,27-,28-,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,45-,46+,47-,48+/m0/s1 |
| InChIKey | JMEQHZUERYFNHJ-PATSKVRNSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C48H78O17 |
| Exact Mass | 926.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4edBFfZDQ9 |
|---|---|
| Name | #8;ROTUNDIOSIDE-M;15-ALPHA,16-ALPHA-EPOXY-11-ALPHA,28-DIHYDROXY-OLEAN-12-EN-3-BETA-YL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O17 |
| InChI | InChI=1S/C48H78O17/c1-20-28(52)31(55)34(58)40(59-20)63-36-33(57)30(54)25(18-49)61-42(36)64-35-32(56)29(53)21(2)60-41(35)62-27-11-12-45(7)26(44(27,5)6)10-13-46(8)37(45)24(51)16-22-23-17-43(3,4)14-15-48(23,19-50)39-38(65-39)47(22,46)9/h16,20-21,23-42,49-58H,10-15,17-19H2,1-9H3/t20-,21+,23-,24+,25+,26-,27-,28-,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,45-,46+,47-,48+/m0/s1 |
| InChIKey | JMEQHZUERYFNHJ-PATSKVRNSA-N |
| Literature Reference Author | T.FUJIOKA,K.YOSHIDA,H.SHIBAO,T.NAGAO,M.YOSHIDA,K.MATSUNAGA,J .TAKATA,Y.KARUBE,Y.I |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1694(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1694 |
| Molecular Weight | 927.137 g/mol |
| Sample ID | 55328 |
| Solvent | C5D5N |