Spektraris NMR
Poricoic acid E
Common Name: Poricoic acid E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O6/c1-18(2)21-10-11-23-22(28(21,4)14-13-25(33)34)12-15-29(5)26(24(32)16-30(23,29)6)20(27(35)36)9-7-8-19(3)17-31/h8,11-12,20-21,24,26,31-32H,1,7,9-10,13-17H2,2-6H3,(H,33,34)(H,35,36)/b19-8-/t20-,21+,24-,26+,28+,29-,30+/m1/s1
InChIKey: InChIKey=BAMOLJDIJFNXHV-FWGWIYSYSA-N
Formula: C30H44O6
Molecular Weight: 500.6679
Exact Mass: 500.313789
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tai, T., Shingu, T., Kikuchi, T., Tezuka, Y., Akahori, A. Phytochemistry (1995) 39, 1165-9
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) | 30.3 |
| 3 (C) | 176.6 |
| 4 (C) | 149.2 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 28.6 |
| 7 (CH) | 117.9 |
| 8 (C) | 141.9 |
| 9 (C) | 137.5 |
| 10 (C) | 38.9 |
| 11 (CH) | 120.3 |
| 12 (CH2) | 37 |
| 13 (C) | 45.7 |
| 14 (C) | 49.3 |
| 15 (CH2) | 43.7 |
| 16 (CH) | 76.3 |
| 17 (CH) | 57.6 |
| 18 (CH3) | 18.4 |
| 19 (CH3) | 22.3 |
| 20 (CH) | 48.3 |
| 21 (C) | 179 |
| 22 (CH2) | 33.1 |
| 23 (CH2) | 26.6 |
| 24 (CH) | 126.8 |
| 25 (C) | 136.9 |
| 26 (CH3) | 21.9 |
| 27 (CH2) | 60.8 |
| 28 (CH2) | 112.1 |
| 29 (CH3) | 22.26 |
| 30 (CH3) | 24.9 |
