| SpectraBase Compound ID | 70d0ExoaXXs |
|---|---|
| InChI | InChI=1S/C53H84O23/c1-22-31(56)34(59)38(63)44(71-22)75-41-26(19-54)72-42(40(65)36(41)61)70-21-27-33(58)35(60)39(64)45(73-27)76-47(68)53-16-14-49(4,46(66)67)18-24(53)23-8-9-29-50(5)12-11-30(74-43-37(62)32(57)25(55)20-69-43)48(2,3)28(50)10-13-52(29,7)51(23,6)15-17-53/h8,22,24-45,54-65H,9-21H2,1-7H3,(H,66,67)/t22-,24+,25-,26-,27-,28+,29-,30+,31-,32+,33-,34+,35+,36-,37-,38+,39-,40-,41-,42-,43+,44-,45+,49-,50+,51-,52-,53+/m1/s1 |
| InChIKey | BZGASZPFGGQYNG-DRXJAAKYSA-N |
| Mol Weight | 1089.2 g/mol |
| Molecular Formula | C53H84O23 |
| Exact Mass | 1088.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ku87X6DbRPh |
|---|---|
| Name | YIYELIANGWANOSIDE-XI;#3;3-O-BETA-D-XYLOPYRANOSYL-3-BETA-HYDROXY-OLEAN-12-ENE-28,29-DIOIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O23 |
| InChI | InChI=1S/C53H84O23/c1-22-31(56)34(59)38(63)44(71-22)75-41-26(19-54)72-42(40(65)36(41)61)70-21-27-33(58)35(60)39(64)45(73-27)76-47(68)53-16-14-49(4,46(66)67)18-24(53)23-8-9-29-50(5)12-11-30(74-43-37(62)32(57)25(55)20-69-43)48(2,3)28(50)10-13-52(29,7)51(23,6)15-17-53/h8,22,24-45,54-65H,9-21H2,1-7H3,(H,66,67)/t22-,24+,25-,26-,27-,28+,29-,30+,31-,32+,33-,34+,35+,36-,37-,38+,39-,40-,41-,42-,43+,44-,45+,49-,50+,51-,52-,53+/m1/s1 |
| InChIKey | BZGASZPFGGQYNG-DRXJAAKYSA-N |
| Literature Reference Author | S.S.YU,D.Q.YU,X.T.LIANG |
| Literature Reference Citation | PHYTOCHEM.,38,695(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00706-Y |
| Molecular Weight | 1089.236 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4902 |