Spektraris NMR
Siaresinolic acid
Common Name: Siaresinolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/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/h8,19-20,22-23,32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=NFBBPROWDXTYCL-OEMDQZJXSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
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) | 41.7 |
| 2 (CH2) | 33.9 |
| 3 (C) | 216.4 |
| 4 (C) | 47.4 |
| 5 (CH) | 57.7 |
| 6 (CH2) | 68.9 |
| 7 (CH2) | 42.6 |
| 8 (C) | 40 |
| 9 (CH) | 48.7 |
| 10 (C) | 37.7 |
| 11 (CH2) | 24.5 |
| 12 (CH) | 123.4 |
| 13 (C) | 145 |
| 14 (C) | 43.5 |
| 15 (CH2) | 29 |
| 16 (CH2) | 24.7 |
| 17 (C) | 50 |
| 18 (CH) | 42.9 |
| 19 (CH) | 47.2 |
| 20 (C) | 31.7 |
| 21 (CH2) | 35.5 |
| 22 (CH2) | 35 |
| 23 (CH3) | 30 |
| 24 (CH3) | 24.8 |
| 25 (CH3) | 17 |
| 26 (CH3) | 19.5 |
| 27 (CH3) | 26.5 |
| 28 (C) | 180.9 |
| 29 (CH3) | 34 |
| 30 (CH3) | 24.5 |
