Spektraris NMR
Poricoic acid DM
Common Name: Poricoic acid DM
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O6/c1-19(2)22-12-13-24-23(30(22,6)16-15-26(34)38-9)14-17-31(7)27(25(33)18-32(24,31)8)21(28(35)36)11-10-20(3)29(4,5)37/h13-14,21-22,25,27,33,37H,1,3,10-12,15-18H2,2,4-9H3,(H,35,36)/t21-,22+,25-,27+,30+,31-,32+/m1/s1
InChIKey: InChIKey=BLNBMYVNDVNBFI-CPCIMIGGSA-N
Formula: C32H48O6
Molecular Weight: 528.721134
Exact Mass: 528.345089
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) | 35.9 |
| 2 (CH2) | 29.6 |
| 3 (C) | 174.4 |
| 4 (C) | 149.1 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 28.5 |
| 7 (CH) | 117.9 |
| 8 (C) | 141.8 |
| 9 (C) | 137.2 |
| 10 (C) | 38.8 |
| 11 (CH) | 120.5 |
| 12 (CH2) | 37 |
| 13 (C) | 45.6 |
| 14 (C) | 49.3 |
| 15 (CH2) | 43.8 |
| 16 (CH) | 76.4 |
| 17 (CH) | 57.5 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 22.2 |
| 20 (CH) | 48.5 |
| 21 (C) | 178.6 |
| 22 (CH2) | 32.2 |
| 23 (CH2) | 30.1 |
| 24 (C) | 157.9 |
| 25 (C) | 72.5 |
| 26 (CH3) | 30.1 |
| 27 (CH3) | 30.1 |
| 28 (CH2) | 112.2 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 24.8 |
| 3a (CH3) | 51.3 |
| 24a (CH2) | 107 |
