Spektraris NMR
Fomitopinic acid A
Common Name: Fomitopinic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-26(2)22-10-9-21-20(28(22,5)15-14-23(26)31)13-17-29(6)19(12-16-30(21,29)7)18(25(33)34)8-11-24(32)27(3,4)35/h18-19,22,24,32,35H,8-17H2,1-7H3,(H,33,34)/t18-,19-,22+,24+,28-,29-,30+/m1/s1
InChIKey: InChIKey=GCGLPSVDVGXRFN-AMKDLFIQSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Inoue, M., Matsumoto, Y., Sakakibara, C., Miyataka, H., Matsumoto, H., Arihara, S. J Nat Prod (2005) 68, 69-73
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 36.1 |
| 2 (CH2) | 34.6 |
| 3 (C) | 216.3 |
| 4 (C) | 47.3 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 26.4 |
| 8 (C) | 133.6 |
| 9 (C) | 135 |
| 10 (C) | 37 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 29.3 |
| 13 (C) | 44.8 |
| 14 (C) | 49.8 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 47.8 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 18.6 |
| 20 (CH) | 49.8 |
| 21 (C) | 179.1 |
| 22 (CH2) | 31 |
| 23 (CH2) | 30.5 |
| 24 (CH) | 79.4 |
| 25 (C) | 72.6 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 25.9 |
| 28 (CH3) | 26.3 |
| 29 (CH3) | 21.1 |
| 30 (CH3) | 24.4 |
