Spektraris NMR
3a-Acetyl-20(29)-lupene-24-oic acid
Common Name: 3a-Acetyl-20(29)-lupene-24-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-19(2)21-11-14-28(4)17-18-30(6)22(26(21)28)9-10-23-29(5)15-13-25(36-20(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23?,24?,25+,26+,28+,29+,30+,31+,32+/m0/s1
InChIKey: InChIKey=DULLEXJVWYWBKQ-AOHRAIGUSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Belsner, K., B¸chele, B., Werz, U., Simmet, T. Magn Reson Chem (2003) 41, 629-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 34.41 |
| 2 (CH2) | 23.72 |
| 3 (CH) | 73.48 |
| 4 (C) | 46.7 |
| 5 (CH) | 50.48 |
| 6 (CH2) | 19.53 |
| 7 (CH2) | 34.08 |
| 8 (C) | 40.81 |
| 9 (CH) | 49.68 |
| 10 (C) | 37.66 |
| 11 (CH2) | 21.08 |
| 12 (CH2) | 25.19 |
| 13 (CH) | 38.02 |
| 14 (C) | 42.92 |
| 15 (CH2) | 27.43 |
| 16 (CH2) | 35.56 |
| 17 (C) | 43.03 |
| 18 (CH) | 48.25 |
| 19 (CH) | 47.95 |
| 20 (C) | 150.92 |
| 21 (CH2) | 29.85 |
| 22 (CH2) | 39.98 |
| 23 (CH3) | 23.67 |
| 24 (C) | 181.26 |
| 25 (CH3) | 13.41 |
| 26 (CH3) | 15.98 |
| 27 (CH3) | 14.64 |
| 28 (CH3) | 18.01 |
| 29 (CH2) | 109.33 |
| 30 (CH3) | 19.3 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.36 |
