| SpectraBase Compound ID | 61tNBwQoJ93 |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-20-28(52)31(55)34(63-41-35(32(56)30(54)25(17-48)60-41)62-39-33(57)29(53)24(51)18-58-39)40(59-20)61-27-10-11-44(6)26(43(27,4)5)9-12-45(7)36(44)23(50)15-21-22-16-42(2,3)13-14-47(22,19-49)38-37(64-38)46(21,45)8/h15,20,22-41,48-57H,9-14,16-19H2,1-8H3/t20-,22+,23-,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41+,44+,45-,46+,47-/m1/s1 |
| InChIKey | WWPPXDAMFHMHKT-UDLRRAFLSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 995LHQdUr8l |
|---|---|
| Name | #7;ROTUNDIOSIDE-L;15-ALPHA,16-ALPHA-EPOXY-11-ALPHA,28-DIHYDROXY-OLEAN-12-EN-3-BETA-YL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-20-28(52)31(55)34(63-41-35(32(56)30(54)25(17-48)60-41)62-39-33(57)29(53)24(51)18-58-39)40(59-20)61-27-10-11-44(6)26(43(27,4)5)9-12-45(7)36(44)23(50)15-21-22-16-42(2,3)13-14-47(22,19-49)38-37(64-38)46(21,45)8/h15,20,22-41,48-57H,9-14,16-19H2,1-8H3/t20-,22+,23-,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41+,44+,45-,46+,47-/m1/s1 |
| InChIKey | WWPPXDAMFHMHKT-UDLRRAFLSA-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 | 913.110 g/mol |
| Sample ID | 55327 |
| Solvent | C5D5N |