Spektraris NMR
Siaresinolic acid
Common Name: Siaresinolic acid
Synonyms: Siaresinolic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=KFALHTDSQSJCFC-LLICELPBSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mimaki, Y., Fukushima, M., Yokosuka, A., Sashida, Y., Furuya, S., Sakagami, H. Phytochemistry (2001) 57, 773-9
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) | 38.8 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.4 |
| 5 (CH) | 56 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33.7 |
| 8 (C) | 40 |
| 9 (CH) | 48.4 |
| 10 (C) | 37.6 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 123.5 |
| 13 (C) | 144.9 |
| 14 (C) | 42.2 |
| 15 (CH2) | 30 |
| 16 (CH2) | 28.1 |
| 17 (C) | 46.1 |
| 18 (CH) | 44.9 |
| 19 (CH) | 81.3 |
| 20 (C) | 35.7 |
| 21 (CH2) | 29.2 |
| 22 (CH2) | 33.4 |
| 23 (CH3) | 29.2 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 24.9 |
| 28 (C) | 180.9 |
| 29 (CH3) | 28.8 |
| 30 (CH3) | 24.9 |
