![#1;NEOALSOSIDE-A;12-BETA,23-BETA,25-TRIHYDROXY-(20S),(24S)-EPOXYDAMMARANE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRAN](/api/spectrum/48TQWbPRwti/structure.png?h=300&w=458 "#1;NEOALSOSIDE-A;12-BETA,23-BETA,25-TRIHYDROXY-(20S),(24S)-EPOXYDAMMARANE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRAN")
| SpectraBase Compound ID | I1FOwyoDbIv |
|---|---|
| InChI | InChI=1S/C48H82O18/c1-20-30(52)33(55)35(57)40(60-20)64-37-32(54)25(19-49)62-42(38(37)65-41-36(58)34(56)31(53)21(2)61-41)63-28-13-14-45(7)26(43(28,3)4)12-16-46(8)27(45)17-23(50)29-22(11-15-47(29,46)9)48(10)18-24(51)39(66-48)44(5,6)59/h20-42,49-59H,11-19H2,1-10H3/t20-,21+,22-,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 | KFIUIESFCPQQCY-GWCUOJJKSA-N |
| Mol Weight | 947.2 g/mol |
| Molecular Formula | C48H82O18 |
| Exact Mass | 946.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 48TQWbPRwti |
|---|---|
| Name | #1;NEOALSOSIDE-A;12-BETA,23-BETA,25-TRIHYDROXY-(20S),(24S)-EPOXYDAMMARANE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H82O18 |
| InChI | InChI=1S/C48H82O18/c1-20-30(52)33(55)35(57)40(60-20)64-37-32(54)25(19-49)62-42(38(37)65-41-36(58)34(56)31(53)21(2)61-41)63-28-13-14-45(7)26(43(28,3)4)12-16-46(8)27(45)17-23(50)29-22(11-15-47(29,46)9)48(10)18-24(51)39(66-48)44(5,6)59/h20-42,49-59H,11-19H2,1-10H3/t20-,21+,22-,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 | KFIUIESFCPQQCY-GWCUOJJKSA-N |
| Literature Reference Author | C.MINGHUA,N.RUILIN,H.NAGASAWA,A.ISOGAI,Z.JUN,A.SUZUKI |
| Literature Reference Citation | PHYTOCHEM.,31,2451(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83297-C |
| Molecular Weight | 947.168 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU28791 |