Spektraris NMR
Moronic acid
Common Name: Moronic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/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/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=UMYJVVZWBKIXQQ-QALSDZMNSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
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) | 39.7 |
| 2 (CH2) | 33.9 |
| 3 (C) | 218.3 |
| 4 (C) | 47.1 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 33.4 |
| 8 (C) | 40.4 |
| 9 (CH) | 50.3 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 41.3 |
| 14 (C) | 42.4 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 33.6 |
| 17 (C) | 47.8 |
| 18 (C) | 136.4 |
| 19 (CH) | 133 |
| 20 (C) | 31.9 |
| 21 (CH2) | 33.3 |
| 22 (CH2) | 33.2 |
| 23 (CH3) | 26.7 |
| 24 (CH3) | 20.8 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 15.7 |
| 27 (CH3) | 14.7 |
| 28 (C) | 182.8 |
| 29 (CH3) | 30.2 |
| 30 (CH3) | 29 |
