Spektraris NMR
24-Acetoxy-a(1)-norlup-2:20(29)-dien-28-oic acid methyl ester-27,18a-olide
Common Name: 24-Acetoxy-a(1)-norlup-2:20(29)-dien-28-oic acid methyl ester-27,18a-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O6/c1-19(2)21-10-13-30(25(34)36-7)16-17-31-24(32(21,30)38-26(31)35)9-8-23-28(5)15-14-27(4,18-37-20(3)33)22(28)11-12-29(23,31)6/h14-15,21-24H,1,8-13,16-18H2,2-7H3/t21-,22-,23+,24-,27+,28-,29+,30+,31+,32-/m0/s1
InChIKey: InChIKey=UXPFZXKPJYFPLR-FGXVWTJYSA-N
Formula: C32H44O6
Molecular Weight: 524.689371
Exact Mass: 524.313789
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Baddeley G.V., Simes J.J.H., Ai T.H. Aust. J Chem (1980) 33, 2071
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 |
|---|---|
| 2 (CH) | 142.6 |
| 3 (CH) | 134.8 |
| 4 (C) | 48.3 |
| 5 (CH) | 60.3 |
| 6 (CH2) | 17.4 |
| 7 (CH2) | 33.6 |
| 8 (C) | 38.1 |
| 9 (CH) | 50.3 |
| 10 (C) | 56.2 |
| 11 (CH2) | 23.2 |
| 12 (CH2) | 21.5 |
| 13 (CH) | 42.8 |
| 14 (C) | 54.9 |
| 15 (CH2) | 24.3 |
| 16 (CH2) | 31.5 |
| 17 (C) | 57.3 |
| 18 (C) | 97 |
| 19 (CH) | 51.3 |
| 20 (C) | 145.5 |
| 21 (CH2) | 30.4 |
| 22 (CH2) | 34.4 |
| 23 (CH3) | 23.8 |
| 24 (CH2) | 68.3 |
| 25 (CH3) | 22.5 |
| 26 (CH3) | 20.1 |
| 27 (C) | 177.3 |
| 28 (C) | 174.2 |
| 29 (CH2) | 111 |
| 30 (CH3) | 19 |
| 24a (C) | 170.3 |
| 24b (CH3) | 20.7 |
| 28a (CH3) | 51.5 |
