Spektraris NMR
Acridocarpusic acid B
Common Name: Acridocarpusic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-20(33)37-19-29(5)23-10-13-31(7)24(28(23,4)12-11-25(29)34)9-8-21-22-18-27(2,3)14-16-32(22,26(35)36)17-15-30(21,31)6/h18,21,23-24H,8-17,19H2,1-7H3,(H,35,36)/t21-,23-,24-,28+,29-,30-,31-,32+/m1/s1
InChIKey: InChIKey=SJEAJSNWCSDEKP-QJLBSXEYSA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
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) | 40.6 |
| 2 (CH2) | 34.5 |
| 3 (C) | 213.6 |
| 4 (C) | 52.1 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 34.8 |
| 8 (C) | 40.6 |
| 9 (CH) | 50.7 |
| 10 (C) | 37 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 41.3 |
| 14 (C) | 42.6 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 33.5 |
| 17 (C) | 47.9 |
| 18 (C) | 136.5 |
| 19 (CH) | 133.7 |
| 20 (C) | 32.1 |
| 21 (CH2) | 33.4 |
| 22 (CH2) | 33.3 |
| 23 (CH3) | 20.4 |
| 24 (CH2) | 66.1 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 16 |
| 27 (CH3) | 14.9 |
| 28 (C) | 178.8 |
| 29 (CH3) | 30.4 |
| 30 (CH3) | 29.1 |
| 24a (C) | 171 |
| 24b (CH3) | 20.8 |
