| SpectraBase Compound ID | 37E6CmXvTca |
|---|---|
| InChI | InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-28(42)34(36(3,4)30(37)16-17-39(31,38)7)47-32(43)14-10-25-9-12-27(41)29(21-25)46-8/h9-12,14,21,23-24,28,30-31,33-34,41-42H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+/t23-,24+,28-,30?,31?,33?,34-,37+,38-,39-,40+/m1/s1 |
| InChIKey | LOYUSEWSBJOCNL-WJCBPMQNSA-N |
| Mol Weight | 648.9 g/mol |
| Molecular Formula | C40H56O7 |
| Exact Mass | 648.402604 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 | n3esDDdHDO |
|---|---|
| Name | 3-ALPHA-TRANS-FERULOYLOXY-2-ALPHA-HYDROXY-URS-12-EN-28-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O7 |
| InChI | InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-28(42)34(36(3,4)30(37)16-17-39(31,38)7)47-32(43)14-10-25-9-12-27(41)29(21-25)46-8/h9-12,14,21,23-24,28,30-31,33-34,41-42H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+/t23-,24+,28-,30?,31?,33?,34-,37+,38-,39-,40+/m1/s1 |
| InChIKey | LOYUSEWSBJOCNL-WJCBPMQNSA-N |
| Literature Reference Author | H.ITO,E.KOBAYASHI,S.H.LI,T.HATANO,D.SUGITA,N.KUBO,S.SHIMURA, Y.ITOH,T.YOSHIDA |
| Literature Reference Citation | J.NAT.PROD.,64,737(2001) |
| Literature Reference DOI | 10.1021/np010004x |
| Molecular Weight | 648.880 g/mol |
| Solvent | C5D5N |