Spektraris NMR
(16R)-3ct-Acetoxyphyllocladane-16,17-diol
Common Name: (16R)-3ct-Acetoxyphyllocladane-16,17-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-14(24)26-18-8-9-20(4)16(19(18,2)3)7-10-21-11-15(5-6-17(20)21)22(25,12-21)13-23/h15-18,23,25H,5-13H2,1-4H3/t15-,16+,17-,18-,20+,21+,22+/m1/s1
InChIKey: InChIKey=LSVUFTORLSKOSP-IGUHIKQPSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, G., Ruedi, P. Phytochemistry (1996) 41, 1563-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phyllocladanes; 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) | 32.7 |
| 2 (CH2) | 22.4 |
| 3 (CH) | 78.2 |
| 4 (C) | 36.4 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 41.1 |
| 8 (C) | 43.6 |
| 9 (CH) | 56.3 |
| 10 (C) | 37.4 |
| 11 (CH2) | 19.7 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 43.8 |
| 14 (CH2) | 48.4 |
| 15 (CH2) | 44.8 |
| 16 (C) | 84.6 |
| 17 (CH2) | 65.5 |
| 18 (CH3) | 28 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 14.5 |
| 3a (C) | 170.8 |
| 3b (CH3) | 22 |
