| SpectraBase Compound ID | BrouxCAkDJq |
|---|---|
| InChI | InChI=1S/C54H88O24/c1-22-31(60)35(64)38(67)44(71-22)76-42-41(75-45-39(68)36(65)32(61)26(18-55)72-45)34(63)28(20-57)74-47(42)78-48(70)54-14-12-49(2,3)16-24(54)23-8-9-30-50(4)17-25(59)43(77-46-40(69)37(66)33(62)27(19-56)73-46)51(5,21-58)29(50)10-11-53(30,7)52(23,6)13-15-54/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-/m0/s1 |
| InChIKey | NLLLHGQLLYOBBE-FVYJFZLQSA-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 | 9MepadbxwB8 |
|---|---|
| Name | BESYSAPONIN-UD2;3-O-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[ALPHA-L- |
| Compound Number | 4 |
| 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(60)35(64)38(67)44(71-22)76-42-41(75-45-39(68)36(65)32(61)26(18-55)72-45)34(63)28(20-57)74-47(42)78-48(70)54-14-12-49(2,3)16-24(54)23-8-9-30-50(4)17-25(59)43(77-46-40(69)37(66)33(62)27(19-56)73-46)51(5,21-58)29(50)10-11-53(30,7)52(23,6)13-15-54/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-/m0/s1 |
| InChIKey | NLLLHGQLLYOBBE-FVYJFZLQSA-N |
| Literature Reference Author | T.SCHOEPKE,K.HILLER,V.WRAY,M.NIMTZ,K.YAMASAKI,R.KASAI |
| Literature Reference Citation | J.NAT.PROD.,59,355(1996) |
| Literature Reference DOI | 10.1021/np9600715 |
| Molecular Weight | 1121.278 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2390 |