Spektraris NMR
Pfameric acid
Common Name: Pfameric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O5/c1-24(2)19-9-12-27(5)20(26(19,4)11-10-21(24)30)8-7-17-18-15-25(3,34)13-14-29(18,23(32)33)22(31)16-28(17,27)6/h7,18-22,30-31,34H,8-16H2,1-6H3,(H,32,33)/t18-,19-,20+,21-,22-,25-,26-,27+,28+,29+/m0/s1
InChIKey: InChIKey=KDGLSBBFUBIUBL-FSFJONMBSA-N
Formula: C29H46O5
Molecular Weight: 474.67364
Exact Mass: 474.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Shiobara, Y., Inoue, S., Kato, K., Nishiguchi, Y., Oishi, Y., Nishimoto, N., Oliveira, F.d., Akisue, G., Akisue, M.K., Hashimoto, G. Phytochemistry (1993) 32, 1527-30
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) | 39.1 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.4 |
| 8 (C) | 39.9 |
| 9 (CH) | 47.5 |
| 10 (C) | 37.4 |
| 11 (CH2) | 24 |
| 12 (CH) | 122.8 |
| 13 (C) | 143.8 |
| 14 (C) | 44.6 |
| 15 (CH2) | 38.6 |
| 16 (CH) | 64.9 |
| 17 (C) | 50.4 |
| 18 (CH) | 43.5 |
| 19 (CH2) | 46.2 |
| 20 (C) | 68.2 |
| 21 (CH2) | 34.2 |
| 22 (CH2) | 27.2 |
| 23 (CH3) | 28.9 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 27.2 |
| 28 (C) | 181.3 |
| 29 (CH3) | 32.3 |
