Spektraris NMR
3b-Acetoxy-27-[(4-hydroxybenzoyl)oxy]olean-12-en-28-oic Acid Methyl Ester
![3b-Acetoxy-27-[(4-hydroxybenzoyl)oxy]olean-12-en-28-oic Acid Methyl Ester](/nmr/static/nmr/svg/19337.svg)
Common Name: 3b-Acetoxy-27-[(4-hydroxybenzoyl)oxy]olean-12-en-28-oic Acid Methyl Ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O7/c1-25(41)47-32-16-17-37(6)30(36(32,4)5)15-18-38(7)31(37)14-13-28-29-23-35(2,3)19-20-39(29,34(44)45-8)21-22-40(28,38)24-46-33(43)26-9-11-27(42)12-10-26/h9-13,29-32,42H,14-24H2,1-8H3/t29-,30+,31-,32+,37+,38-,39+,40+/m1/s1
InChIKey: InChIKey=JKBXKJDLSVSMGC-VOLNAVNJSA-N
Formula: C40H56O7
Molecular Weight: 648.869953
Exact Mass: 648.402604
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pan, M.H., Chen, C.M., Lee, S.W., Chen, Z.T. Chem Biodivers (2008) 5, 565-74
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 81 |
| 4 (C) | 37.6 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32.9 |
| 8 (C) | 39.9 |
| 9 (CH) | 48.5 |
| 10 (C) | 37 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 126.8 |
| 13 (C) | 137.4 |
| 14 (C) | 45.2 |
| 15 (CH2) | 24 |
| 16 (CH2) | 22.7 |
| 17 (C) | 46.5 |
| 18 (CH) | 41.2 |
| 19 (CH2) | 44.5 |
| 20 (C) | 30.5 |
| 21 (CH2) | 33.6 |
| 22 (CH2) | 32.3 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 18 |
| 27 (CH2) | 65.8 |
| 28 (C) | 178.3 |
| 29 (CH3) | 32.8 |
| 30 (CH3) | 23.6 |
| 3a (C) | 171.3 |
| 3b (CH3) | 21.3 |
| 27a (C) | 166.3 |
| 27b (C) | 122.8 |
| 27c (CH) | 131.7 |
| 27d (CH) | 115.3 |
| 27e (C) | 160.2 |
| 27f (CH) | 115.3 |
| 27g (CH) | 131.7 |
| 28a (CH3) | 51.7 |
