Spektraris NMR
Petatrichol A
Common Name: Petatrichol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-17-11-12-26(5)22(32)16-29(8)28(7,24(26)18(17)2)14-13-27(6)19-9-10-21(31)25(3,4)20(19)15-23-30(27,29)33-23/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=JKRDJLUZDFFCPV-YYAAKRLPSA-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 : DB-Friedoursanes; 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) | 20.9 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 75.2 |
| 4 (C) | 39 |
| 5 (C) | 126.4 |
| 6 (CH2) | 26.1 |
| 7 (CH) | 51.3 |
| 8 (C) | 67.1 |
| 9 (C) | 40.1 |
| 10 (C) | 134.9 |
| 11 (CH2) | 28.7 |
| 12 (CH2) | 28.5 |
| 13 (C) | 40.4 |
| 14 (C) | 42.3 |
| 15 (CH2) | 32.8 |
| 16 (CH) | 77.2 |
| 17 (C) | 37.9 |
| 18 (CH) | 53.5 |
| 19 (CH) | 35.7 |
| 20 (CH) | 31.9 |
| 21 (CH2) | 28.9 |
| 22 (CH2) | 26.7 |
| 23 (CH3) | 26 |
| 24 (CH3) | 22.2 |
| 25 (CH3) | 26 |
| 26 (CH3) | 20.9 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 35.2 |
| 29 (CH3) | 25.1 |
| 30 (CH3) | 22.6 |
