| SpectraBase Compound ID | 87XjKV0QXko |
|---|---|
| InChI | InChI=1S/C54H88O24/c1-22-31(59)35(63)40(68)45(72-22)77-43-25(58)17-50(4)29(51(43,5)21-57)10-11-53(7)30(50)9-8-23-24-16-49(2,3)12-14-54(24,15-13-52(23,53)6)48(70)78-47-42(76-46-41(69)37(65)33(61)27(19-56)74-46)38(66)34(62)28(75-47)20-71-44-39(67)36(64)32(60)26(18-55)73-44/h8,22,24-47,55-69H,9-21H2,1-7H3/t22-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43+,44-,45+,46+,47+,50+,51+,52-,53-,54+/m1/s1 |
| InChIKey | SYMQRSSMAQAOCK-YKUNQRIOSA-N |
| Mol Weight | 1121.3 g/mol |
| Molecular Formula | C54H88O24 |
| Exact Mass | 1120.566554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LjTAV6i1bvH |
|---|---|
| Name | #4;BELLISSAPONIN-BS7;3-O-ALPHA-L-RHAMNOPYRANOSYL-2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-ENE-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSY-(1->2)-[BETA-D-GLUCOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O24 |
| InChI | InChI=1S/C54H88O24/c1-22-31(59)35(63)40(68)45(72-22)77-43-25(58)17-50(4)29(51(43,5)21-57)10-11-53(7)30(50)9-8-23-24-16-49(2,3)12-14-54(24,15-13-52(23,53)6)48(70)78-47-42(76-46-41(69)37(65)33(61)27(19-56)74-46)38(66)34(62)28(75-47)20-71-44-39(67)36(64)32(60)26(18-55)73-44/h8,22,24-47,55-69H,9-21H2,1-7H3/t22-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43+,44-,45+,46+,47+,50+,51+,52-,53-,54+/m1/s1 |
| InChIKey | SYMQRSSMAQAOCK-YKUNQRIOSA-N |
| Literature Reference Author | T.SCHOEPKE,V.WRAY,A.KUNATH,K.HILLER |
| Literature Reference Citation | PHYTOCHEM.,31,2555(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83328-V |
| Molecular Weight | 1121.278 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS27719 |