Spektraris NMR
Acridocarpusic acid A
Common Name: Acridocarpusic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h17,19,21-22,31H,7-16,18H2,1-6H3,(H,33,34)/t19-,21-,22-,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=HFOQJPJZQHZMTM-AOFSFWRZSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cao, S.G., Guza, R.C., Miller, J.S., Andriantsiferana, R., Rasamison, V.E., Kingston, D.G.I. J Nat Prod (2004) 67, 986-9
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) | 39.6 |
| 2 (CH2) | 34.2 |
| 3 (C) | 221.5 |
| 4 (C) | 50.5 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40.4 |
| 9 (CH) | 50.2 |
| 10 (C) | 36.7 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 26 |
| 13 (CH) | 41.5 |
| 14 (C) | 42.6 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 33.8 |
| 17 (C) | 47.9 |
| 18 (C) | 136.6 |
| 19 (CH) | 133.5 |
| 20 (C) | 32.1 |
| 21 (CH2) | 33.4 |
| 22 (CH2) | 33.3 |
| 23 (CH3) | 22.2 |
| 24 (CH2) | 65.8 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 15.7 |
| 27 (CH3) | 14.8 |
| 28 (C) | 179.5 |
| 29 (CH3) | 30.3 |
| 30 (CH3) | 29.1 |
