Spektraris NMR
Ternstroemic acid
Common Name: Ternstroemic acid
Synonyms: Ternstroemic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-16-8-11-30(25(34)35)13-12-28(6)18(22(30)17(16)2)14-19(31)23-27(5)15-20(32)24(33)26(3,4)21(27)9-10-29(23,28)7/h14,16-17,20-24,32-33H,8-13,15H2,1-7H3,(H,34,35)/t16-,17+,20-,21+,22+,23-,24+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=LOGACJITTVIXDN-VZHNBZJQSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ikuta, A., Tomiyasu, H., Morita, Y., Yoshimura, K. J Nat Prod (2003) 66, 1051-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 48.5 |
| 2 (CH) | 68.3 |
| 3 (CH) | 83.5 |
| 4 (C) | 40 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 33.3 |
| 8 (C) | 44.1 |
| 9 (CH) | 62.1 |
| 10 (C) | 38.8 |
| 11 (C) | 200 |
| 12 (CH) | 127.9 |
| 13 (C) | 170.6 |
| 14 (C) | 45.3 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 24.7 |
| 17 (C) | 48.6 |
| 18 (CH) | 53.7 |
| 19 (CH) | 39.1 |
| 20 (CH) | 39 |
| 21 (CH2) | 30 |
| 22 (CH2) | 36.7 |
| 23 (CH3) | 29.3 |
| 24 (CH3) | 17.9 |
| 25 (CH3) | 17.6 |
| 26 (CH3) | 19.5 |
| 27 (CH3) | 21.2 |
| 28 (C) | 180.3 |
| 29 (CH3) | 17.9 |
| 30 (CH3) | 21.2 |
