| SpectraBase Compound ID | 7vEWgxPpr9V |
|---|---|
| InChI | InChI=1S/C53H86O24/c1-48(2)11-13-53(47(69)77-46-41(75-44-38(66)31(59)25(58)19-70-44)37(65)34(62)28(74-46)20-71-43-39(67)35(63)32(60)26(17-54)72-43)14-12-51(5)22(23(53)15-48)7-8-30-49(3)16-24(57)42(50(4,21-56)29(49)9-10-52(30,51)6)76-45-40(68)36(64)33(61)27(18-55)73-45/h7,23-46,54-68H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1 |
| InChIKey | PTVOFBBNSVQKEX-ZXBJSIHJSA-N |
| Mol Weight | 1107.2 g/mol |
| Molecular Formula | C53H86O24 |
| Exact Mass | 1106.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DHhEEITepnu |
|---|---|
| Name | #2;BELLISAPONIN-BS5;3-O-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-ENE-28-OIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O24 |
| InChI | InChI=1S/C53H86O24/c1-48(2)11-13-53(47(69)77-46-41(75-44-38(66)31(59)25(58)19-70-44)37(65)34(62)28(74-46)20-71-43-39(67)35(63)32(60)26(17-54)72-43)14-12-51(5)22(23(53)15-48)7-8-30-49(3)16-24(57)42(50(4,21-56)29(49)9-10-52(30,51)6)76-45-40(68)36(64)33(61)27(18-55)73-45/h7,23-46,54-68H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1 |
| InChIKey | PTVOFBBNSVQKEX-ZXBJSIHJSA-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 | 1107.251 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS27717 |