| SpectraBase Compound ID | JXe54Lr1ov9 |
|---|---|
| InChI | InChI=1S/C54H88O23/c1-23-32(59)42(76-45-40(67)37(64)34(61)25(19-56)72-45)43(77-46-41(68)38(65)35(62)26(20-57)73-46)47(70-23)74-30-10-11-49(4)27(50(30,5)21-58)8-12-51(6)28(49)9-13-54-29-16-48(2,3)14-15-53(29,22-69-54)31(17-52(51,54)7)75-44-39(66)36(63)33(60)24(18-55)71-44/h9,13,23-47,55-68H,8,10-12,14-22H2,1-7H3/t23-,24+,25-,26+,27+,28+,29+,30-,31-,32+,33+,34-,35+,36-,37+,38-,39+,40-,41+,42+,43-,44-,45+,46-,47+,49-,50-,51+,52-,53+,54-/m0/s1 |
| InChIKey | MHHVKMAUXMWTDS-TXYOYWNBSA-N |
| Mol Weight | 1105.3 g/mol |
| Molecular Formula | C54H88O23 |
| Exact Mass | 1104.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XxnYhIStD5 |
|---|---|
| Name | CLINOPOSAPONIN-VIII |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O23 |
| InChI | InChI=1S/C54H88O23/c1-23-32(59)42(76-45-40(67)37(64)34(61)25(19-56)72-45)43(77-46-41(68)38(65)35(62)26(20-57)73-46)47(70-23)74-30-10-11-49(4)27(50(30,5)21-58)8-12-51(6)28(49)9-13-54-29-16-48(2,3)14-15-53(29,22-69-54)31(17-52(51,54)7)75-44-39(66)36(63)33(60)24(18-55)71-44/h9,13,23-47,55-68H,8,10-12,14-22H2,1-7H3/t23-,24+,25-,26+,27+,28+,29+,30-,31-,32+,33+,34-,35+,36-,37+,38-,39+,40-,41+,42+,43-,44-,45+,46-,47+,49-,50-,51+,52-,53+,54-/m0/s1 |
| InChIKey | MHHVKMAUXMWTDS-TXYOYWNBSA-N |
| Literature Reference Author | A.YAMAMOTO,H.SUZUKI,T.MIYASE,A.UENO,T.MAEDA |
| Literature Reference Citation | PHYTOCHEM.,34,485(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)80035-Q |
| Molecular Weight | 1105.279 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU7345 |