Spektraris NMR
Tolypodiol
Common Name: Tolypodiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O6/c1-17(31)35-24-11-12-27(2,3)25-20(32)16-28(4)22(30(24,25)6)10-13-29(5)23(28)15-19-14-18(26(33)34-7)8-9-21(19)36-29/h8-9,14,20,22-25,32H,10-13,15-16H2,1-7H3/t20-,22+,23?,24-,25+,28-,29+,30+/m1/s1
InChIKey: InChIKey=KEWBCMLYHMSQGF-HVDRBZAMSA-N
Formula: C30H42O6
Molecular Weight: 498.652018
Exact Mass: 498.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Prinsep, M.R., Thomson, R.A., West, M.L., Wylie, B.L. J Nat Prod (1996) 59, 786-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, 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 (CH) | 82.93 |
| 2 (CH2) | 25.1 |
| 3 (CH2) | 41.21 |
| 4 (C) | 33.87 |
| 5 (CH) | 55.8 |
| 6 (CH) | 68.83 |
| 7 (CH2) | 48.01 |
| 8 (C) | 37.45 |
| 9 (CH) | 60.94 |
| 10 (C) | 42.16 |
| 11 (CH2) | 20.67 |
| 12 (CH2) | 40.86 |
| 13 (C) | 77.29 |
| 14 (CH) | 52.38 |
| 15 (CH2) | 22.21 |
| 16 (CH3) | 20.82 |
| 17 (CH3) | 16.51 |
| 18 (CH3) | 32.57 |
| 19 (CH3) | 23.57 |
| 20 (CH3) | 14.55 |
| 1' (C) | 121.87 |
| 2' (C) | 157.47 |
| 3' (CH) | 116.95 |
| 4' (CH) | 129.02 |
| 5' (C) | 121.44 |
| 6' (CH) | 131.89 |
| 1a (C) | 170.53 |
| 1b (CH3) | 21.98 |
| 5'a (C) | 167.17 |
| 5'b (CH3) | 51.75 |
