Spektraris NMR
Poricoic acid C
Common Name: Poricoic acid C
Synonyms: Poricoic acid C
CAS Registry Number:
InChI: InChI=1S/C31H46O4/c1-19(2)21(5)9-10-22(28(34)35)24-13-17-31(8)26-12-11-23(20(3)4)29(6,16-15-27(32)33)25(26)14-18-30(24,31)7/h12,14,19,22-24H,3,5,9-11,13,15-18H2,1-2,4,6-8H3,(H,32,33)(H,34,35)/t22-,23+,24-,29+,30-,31+/m1/s1
InChIKey: InChIKey=QFVFCBZDUKVXLR-PKSIZLAPSA-N
Formula: C31H46O4
Molecular Weight: 482.695707
Exact Mass: 482.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tai, T., Akahori, A., Shingu, T. Phytochemistry (1993) 32, 1239-44
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) | 36.4 |
| 2 (CH2) | 30.2 |
| 3 (C) | 176.5 |
| 4 (C) | 149.2 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 28.6 |
| 7 (CH) | 118 |
| 8 (C) | 141.9 |
| 9 (C) | 137.6 |
| 10 (C) | 38.8 |
| 11 (CH) | 120.4 |
| 12 (CH2) | 36.8 |
| 13 (C) | 44.7 |
| 14 (C) | 49 |
| 15 (CH2) | 31 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 50.3 |
| 18 (CH3) | 17 |
| 19 (CH3) | 22.2 |
| 20 (CH) | 48.3 |
| 21 (C) | 178.3 |
| 22 (CH2) | 31.7 |
| 23 (CH2) | 32.7 |
| 24 (C) | 155.8 |
| 25 (CH) | 34.2 |
| 26 (CH3) | 22 |
| 27 (CH3) | 21.9 |
| 28 (CH2) | 112.1 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 24.3 |
| 24a (CH2) | 107 |
