Spektraris NMR
Acridocarpusic acid D
Common Name: Acridocarpusic acid D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-23,31H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,23-,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=RGZSSKBTFGNUCG-ZGXCSZCUSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
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) | 34.4 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 76.2 |
| 4 (C) | 37.6 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40.9 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.4 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 26 |
| 13 (CH) | 41.4 |
| 14 (C) | 42.7 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 33.4 |
| 17 (C) | 48 |
| 18 (C) | 136.9 |
| 19 (CH) | 133.3 |
| 20 (C) | 32.1 |
| 21 (CH2) | 33.5 |
| 22 (CH2) | 33.5 |
| 23 (CH3) | 22.1 |
| 24 (CH3) | 28.2 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16 |
| 27 (CH3) | 15 |
| 28 (C) | 179.9 |
| 29 (CH3) | 30.4 |
| 30 (CH3) | 29.1 |
