| SpectraBase Compound ID | LKmqKfioxZF |
|---|---|
| InChI | InChI=1S/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11-,20-12+/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1 |
| InChIKey | YBOIBOWMTWFCEG-ZJLYTHJXSA-N |
| Mol Weight | 765.0 g/mol |
| Molecular Formula | C48H60O8 |
| Exact Mass | 764.428819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3BpBl0KySO7 |
|---|---|
| Name | ASPRELLIC-ACID-B;3-O-TRANS-27-O-CIS-3-BETA,27-DIHYDROXYOLEAN-12-EN-28-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H60O8 |
| InChI | InChI=1S/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11-,20-12+/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1 |
| InChIKey | YBOIBOWMTWFCEG-ZJLYTHJXSA-N |
| Literature Reference Author | Y.KASHIWADA,D.C.ZHANG,Y.P.CHEN,C.M.CHENG,H.T.CHEN,H.C.CHANG, J.J.CHANG,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,56,2077(1993) |
| Literature Reference DOI | 10.1021/np50102a008 |
| Molecular Weight | 765.000 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS17927 |