| SpectraBase Compound ID | AB7Q3E6JWBo |
|---|---|
| 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-WFEMDMDASA-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 | 5vtTcz4WyxL |
|---|---|
| Name | Liangwanoside-ii |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-WFEMDMDASA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 35, 1486 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |