| SpectraBase Compound ID | FVkw7nNJrHT |
|---|---|
| InChI | InChI=1S/C54H88O24/c1-21-31(59)35(63)40(68)45(72-21)76-42-38(66)34(62)27(20-71-44-39(67)36(64)32(60)25(18-55)73-44)75-47(42)78-48(70)54-14-13-49(2,3)15-23(54)22-9-10-29-51(6)16-24(57)43(77-46-41(69)37(65)33(61)26(19-56)74-46)50(4,5)28(51)11-12-52(29,7)53(22,8)17-30(54)58/h9,21,23-47,55-69H,10-20H2,1-8H3/t21-,23-,24-,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47-,51-,52+,53+,54+/m0/s1 |
| InChIKey | KFCMOOGMXQYLSR-NSCSFFJZSA-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 | 4RtBO9zoQXI |
|---|---|
| Name | #1;BELLISSAPONIN-BS4;3-O-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,16-ALPHA-TRIHYDROXYOLEAN-12-ENE-28-OIC-ACID-28-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O24 |
| InChI | InChI=1S/C54H88O24/c1-21-31(59)35(63)40(68)45(72-21)76-42-38(66)34(62)27(20-71-44-39(67)36(64)32(60)25(18-55)73-44)75-47(42)78-48(70)54-14-13-49(2,3)15-23(54)22-9-10-29-51(6)16-24(57)43(77-46-41(69)37(65)33(61)26(19-56)74-46)50(4,5)28(51)11-12-52(29,7)53(22,8)17-30(54)58/h9,21,23-47,55-69H,10-20H2,1-8H3/t21-,23-,24-,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47-,51-,52+,53+,54+/m0/s1 |
| InChIKey | KFCMOOGMXQYLSR-NSCSFFJZSA-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 | UWMS27716 |