Spektraris NMR
Petatrichol B
Common Name: Petatrichol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-17-11-12-26(5)22(32)16-30-28(7,24(26)18(17)2)14-13-27(6)19-9-10-21(31)25(3,4)20(19)15-23(33-30)29(27,30)8/h17-18,21-24,31-32H,9-16H2,1-8H3/t17-,18+,21+,22-,23-,24-,26-,27+,28+,29-,30+/m1/s1
InChIKey: InChIKey=MQDJHKBRGRTGOR-PXERLXEHSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xie, W.D., Zhang, Q., Li, P.L., Jia, Z.J. Phytochemistry (2005) 66, 2340-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 23.3 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 75.7 |
| 4 (C) | 39.3 |
| 5 (C) | 130.7 |
| 6 (CH2) | 27.2 |
| 7 (CH) | 78.7 |
| 8 (C) | 47.6 |
| 9 (C) | 39.7 |
| 10 (C) | 134 |
| 11 (CH2) | 28.8 |
| 12 (CH2) | 31.7 |
| 13 (C) | 40.4 |
| 14 (C) | 89.8 |
| 15 (CH2) | 35.7 |
| 16 (CH) | 75.5 |
| 17 (C) | 37.5 |
| 18 (CH) | 52 |
| 19 (CH) | 36 |
| 20 (CH) | 32 |
| 21 (CH2) | 27.8 |
| 22 (CH2) | 23.5 |
| 23 (CH3) | 25.7 |
| 24 (CH3) | 20.8 |
| 25 (CH3) | 24.8 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 20.1 |
| 28 (CH3) | 32.7 |
| 29 (CH3) | 23.7 |
| 30 (CH3) | 22.3 |
