Spektraris NMR
3-O-Acetylcorosolic acid
Common Name: 3-O-Acetylcorosolic acid
Synonyms: 3-O-Acetylcorosolic acid
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-18-11-14-32(27(35)36)16-15-30(7)21(25(32)19(18)2)9-10-24-29(6)17-22(34)26(37-20(3)33)28(4,5)23(29)12-13-31(24,30)8/h9,18-19,22-26,34H,10-17H2,1-8H3,(H,35,36)/t18-,19+,22-,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=PCEBPJUHBOJBAJ-FXZBVTQXSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaturvedula, V.S.P., Gao, Z.J., Jones, S.H., Feng, X.Z., Hecht, S.M., Kingston, D.G.I. J Nat Prod (2004) 67, 899-901
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 50.3 |
| 2 (CH) | 68.3 |
| 3 (CH) | 80.4 |
| 4 (C) | 38.4 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.3 |
| 8 (C) | 40.2 |
| 9 (CH) | 47.8 |
| 10 (C) | 39.2 |
| 11 (CH2) | 24.8 |
| 12 (CH) | 125.6 |
| 13 (C) | 138.2 |
| 14 (C) | 42.4 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 24.6 |
| 17 (C) | 49.8 |
| 18 (CH) | 53.2 |
| 19 (CH) | 39.6 |
| 20 (CH) | 39.4 |
| 21 (CH2) | 31.8 |
| 22 (CH2) | 37.9 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 17.5 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 17 |
| 27 (CH3) | 23.6 |
| 28 (C) | 179.1 |
| 29 (CH3) | 21.3 |
| 30 (CH3) | 17.3 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.3 |
