| SpectraBase Compound ID | GgwhiiDqE7u |
|---|---|
| InChI | InChI=1S/C39H54O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,31-,36-,37+,38-,39-/m0/s1 |
| InChIKey | IZCSLJUDQLFLNO-YYGQYJBBSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C39H54O7 |
| Exact Mass | 634.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEq8Py26SfA |
|---|---|
| Name | 27-TRANS-CAFFEOYLOXY-3-BETA-HYDROXY-OLEAN-12-EN-28-OIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O7 |
| InChI | InChI=1S/C39H54O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,31-,36-,37+,38-,39-/m0/s1 |
| InChIKey | IZCSLJUDQLFLNO-YYGQYJBBSA-N |
| Literature Reference Author | Z.H.JIANG,C.INUTSUKA,T.TANAKA,I.KOUNO |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,512(1998) |
| Literature Reference DOI | 10.1248/cpb.46.512 |
| Molecular Weight | 634.854 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS6285 |