Spektraris NMR
Tolypodiol
Common Name: Tolypodiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O5/c1-25(2)11-10-22(30)28(5)20-9-12-27(4)21(26(20,3)15-18(29)23(25)28)14-17-13-16(24(31)32-6)7-8-19(17)33-27/h7-8,13,18,20-23,29-30H,9-12,14-15H2,1-6H3/t18-,20+,21?,22-,23+,26-,27+,28+/m1/s1
InChIKey: InChIKey=NQNQLGPYASRQND-YLHVLZQKSA-N
Formula: C28H40O5
Molecular Weight: 456.61526
Exact Mass: 456.287574
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) | 80.59 |
| 2 (CH2) | 30.14 |
| 3 (CH2) | 41.83 |
| 4 (C) | 33.9 |
| 5 (CH) | 55.77 |
| 6 (CH) | 68.91 |
| 7 (CH2) | 48.2 |
| 8 (C) | 37.53 |
| 9 (CH) | 61.73 |
| 10 (C) | 43.24 |
| 11 (CH2) | 21.17 |
| 12 (CH2) | 41.09 |
| 13 (C) | 77.85 |
| 14 (CH) | 52.54 |
| 15 (CH2) | 22.28 |
| 16 (CH3) | 20.87 |
| 17 (CH3) | 16.52 |
| 18 (CH3) | 32.65 |
| 19 (CH3) | 23.51 |
| 20 (CH3) | 13.21 |
| 1' (C) | 122.13 |
| 2' (C) | 157.65 |
| 3' (CH) | 116.97 |
| 4' (CH) | 129.06 |
| 5' (C) | 121.38 |
| 6' (CH) | 131.99 |
| 5'a (C) | 167.3 |
| 5'b (CH3) | 51.82 |
