Spektraris NMR
Sumaresinolic acid
Common Name: Sumaresinolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-21,23,31H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,23-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=GBMBQYFNPMVAMS-BOTRXSTOSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, F., Hua, H., Pei, Y., Chen, D., Jing, Y. J Nat Prod (2006) 69, 807-10
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) | 38.8 |
| 2 (CH2) | 34.1 |
| 3 (C) | 217.4 |
| 4 (C) | 47.5 |
| 5 (CH) | 55.4 |
| 6 (CH) | 19.6 |
| 7 (CH2) | 32 |
| 8 (C) | 39.6 |
| 9 (CH) | 47.1 |
| 10 (C) | 37 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 124.9 |
| 13 (C) | 142.7 |
| 14 (C) | 41.3 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 23.7 |
| 17 (C) | 45.3 |
| 18 (CH) | 43.4 |
| 19 (CH2) | 81.5 |
| 20 (C) | 34.6 |
| 21 (CH2) | 27.9 |
| 22 (CH2) | 32.4 |
| 23 (CH3) | 26.2 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 14.7 |
| 26 (CH3) | 17 |
| 27 (CH3) | 24.9 |
| 28 (C) | 184.5 |
| 29 (CH3) | 27.9 |
| 30 (CH3) | 24.4 |
