Spektraris NMR
Triptonediol
Common Name: Triptonediol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m1/s1
InChIKey: InChIKey=XGRBHDJWRPUKMD-TYCQWZJGSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Jia, Y., Li, D. J Nat Prod (1999) 62, 1522-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 35.4 |
| 2 (CH2) | 34.7 |
| 3 (C) | 224 |
| 4 (C) | 50.1 |
| 5 (CH) | 52.8 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 26.6 |
| 8 (C) | 130.7 |
| 9 (C) | 130.8 |
| 10 (C) | 37.7 |
| 11 (C) | 150.5 |
| 12 (CH) | 112 |
| 13 (C) | 139.7 |
| 14 (C) | 148.7 |
| 15 (CH) | 26.2 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 22.9 |
| 19 (CH2) | 66.1 |
| 20 (CH3) | 21.1 |
| 14a (CH3) | 60.8 |
