Spektraris NMR
Acridocarpusic acid E
Common Name: Acridocarpusic acid E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h19,21,23-25H,9-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25-,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=ATCLOZHDTYBRBI-HHMMOPRGSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
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) | 34.2 |
| 2 (CH2) | 22.9 |
| 3 (CH) | 78.3 |
| 4 (C) | 36.7 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 18 |
| 7 (CH2) | 34.3 |
| 8 (C) | 40.9 |
| 9 (CH) | 51 |
| 10 (C) | 37.2 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 26 |
| 13 (CH) | 41.4 |
| 14 (C) | 42.7 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 33.5 |
| 17 (C) | 47.9 |
| 18 (C) | 136.9 |
| 19 (CH) | 133.5 |
| 20 (C) | 32.1 |
| 21 (CH2) | 33.4 |
| 22 (CH2) | 33.4 |
| 23 (CH3) | 21.7 |
| 24 (CH3) | 27.8 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16 |
| 27 (CH3) | 15.1 |
| 28 (C) | 179 |
| 29 (CH3) | 30.3 |
| 30 (CH3) | 29.1 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.4 |
