Spektraris NMR
Fomitopinic acid B
Common Name: Fomitopinic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O6/c1-19(33)38-26-15-16-30(6)22-14-18-31(7)21(20(27(35)36)9-12-25(34)29(4,5)37)13-17-32(31,8)23(22)10-11-24(30)28(26,2)3/h20-21,24-26,34,37H,9-18H2,1-8H3,(H,35,36)/t20-,21-,24+,25+,26-,30-,31-,32+/m1/s1
InChIKey: InChIKey=ZYJIVIYINCIQAB-VMLOCIKXSA-N
Formula: C32H52O6
Molecular Weight: 532.752897
Exact Mass: 532.376389
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) | 31.4 |
| 2 (CH2) | 23.9 |
| 3 (CH) | 78 |
| 4 (C) | 37.2 |
| 5 (CH) | 46 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 26.5 |
| 8 (C) | 134.4 |
| 9 (C) | 135 |
| 10 (C) | 37.5 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 29.6 |
| 13 (C) | 45.1 |
| 14 (C) | 50.1 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 48 |
| 18 (CH3) | 16.7 |
| 19 (CH3) | 19.4 |
| 20 (CH) | 50.1 |
| 21 (C) | 179.1 |
| 22 (CH2) | 31.1 |
| 23 (CH2) | 30.9 |
| 24 (CH) | 79.7 |
| 25 (C) | 72.9 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 26.3 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 24.7 |
| 3a (C) | 170 |
| 3b (CH3) | 21.1 |
