Spektraris NMR
dimethyl Poricoate F
Common Name: dimethyl Poricoate F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H50O6/c1-20(2)21(3)10-11-23(30(37)39-9)29-27(35)18-33(7)26-13-12-24(22(4)19-34)31(5,16-15-28(36)38-8)25(26)14-17-32(29,33)6/h13-14,20,23-24,27,29,34-35H,3-4,10-12,15-19H2,1-2,5-9H3/t23-,24+,27-,29+,31+,32-,33+/m1/s1
InChIKey: InChIKey=OAZDIEWUEJWMNZ-QSZXRLQHSA-N
Formula: C33H50O6
Molecular Weight: 542.747752
Exact Mass: 542.360739
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) | 35.9 |
| 2 (CH2) | 29.6 |
| 3 (C) | 174.5 |
| 4 (C) | 153.8 |
| 5 (CH) | 46.4 |
| 6 (CH2) | 29.3 |
| 7 (CH) | 118.3 |
| 8 (C) | 141.7 |
| 9 (C) | 137.2 |
| 10 (C) | 39.4 |
| 11 (CH) | 120.5 |
| 12 (CH2) | 36.8 |
| 13 (C) | 45.3 |
| 14 (C) | 49.1 |
| 15 (CH2) | 43.7 |
| 16 (CH) | 76.1 |
| 17 (CH) | 57.5 |
| 18 (CH3) | 18.4 |
| 19 (CH3) | 22.1 |
| 20 (CH) | 47.6 |
| 21 (C) | 176.4 |
| 22 (CH2) | 31.1 |
| 23 (CH2) | 32.9 |
| 24 (C) | 155.5 |
| 25 (CH) | 33.9 |
| 26 (CH3) | 22 |
| 27 (CH3) | 21.8 |
| 28 (CH2) | 109.1 |
| 29 (CH2) | 65.3 |
| 30 (CH3) | 24.8 |
| 3a (CH3) | 51.4 |
| 21a (CH3) | 51.2 |
| 24a (CH2) | 107.2 |
