Spektraris NMR
2Beta-Hydroxyjatropholone
Common Name: 2Beta-Hydroxyjatropholone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O3/c1-9-6-7-12-16(19(12,3)4)14-10(2)17(21)11-8-20(5,23)18(22)15(11)13(9)14/h12,16,21,23H,1,6-8H2,2-5H3/t12-,16-,20+/m1/s1
InChIKey: InChIKey=GXKSQESISBERSQ-RRBXVBTKSA-N
Formula: C20H24O3
Molecular Weight: 312.403511
Exact Mass: 312.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sutthivaiyakit, S., Mongkolvisut, W., Prabpai, S., Kongsaeree, P. J Nat Prod (2009) 72, 2024-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatropholanes; 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 (C) | 206.1 |
| 2 (C) | 77.5 |
| 3 (CH2) | 37.2 |
| 4 (C) | 128.7 |
| 5 (C) | 150.1 |
| 6 (C) | 132.4 |
| 7 (C) | 137.9 |
| 8 (C) | 135.7 |
| 9 (C) | 134.6 |
| 10 (C) | 144.4 |
| 11 (CH2) | 33.4 |
| 12 (CH2) | 21.4 |
| 13 (CH) | 25.9 |
| 14 (CH) | 28.3 |
| 15 (C) | 19.6 |
| 16 (CH3) | 16.2 |
| 17 (CH3) | 28.1 |
| 18 (CH2) | 116.2 |
| 19 (CH3) | 25.7 |
| 20 (CH3) | 13.4 |
