Spektraris NMR
Thorectandrol C
Common Name: Thorectandrol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O5/c1-17(10-11-22(29)21-14-25(30)31-16-21)12-13-26(5)19(3)23(32-20(4)28)15-27(6)18(2)8-7-9-24(26)27/h10,14,19,22-24,29H,2,7-9,11-13,15-16H2,1,3-6H3/b17-10+/t19-,22+,23+,24-,26+,27+/m0/s1
InChIKey: InChIKey=DHZHHHTYJVQJEJ-VIYFSLSRSA-N
Formula: C27H40O5
Molecular Weight: 444.604524
Exact Mass: 444.287574
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Charan, R.D., McKee, T.C., Boyd, M.R. J Nat Prod (2002) 65, 492-5
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 22.9 |
| 2 (CH2) | 29.6 |
| 3 (CH2) | 33.6 |
| 4 (C) | 160.4 |
| 5 (C) | 41.6 |
| 6 (CH2) | 44.1 |
| 7 (CH) | 75.3 |
| 8 (CH) | 42.8 |
| 9 (C) | 41.9 |
| 10 (CH) | 49.7 |
| 11 (CH2) | 38.3 |
| 12 (CH2) | 34.1 |
| 13 (C) | 140.3 |
| 14 (CH) | 119.8 |
| 15 (CH2) | 36 |
| 16 (CH) | 69.4 |
| 17 (C) | 176.3 |
| 18 (CH) | 115.1 |
| 19 (C) | 176.4 |
| 20 (CH2) | 103.5 |
| 21 (CH3) | 22.2 |
| 22 (CH3) | 11 |
| 23 (CH3) | 19.7 |
| 24 (CH3) | 16.6 |
| 25 (CH2) | 73 |
| 7a (C) | 172.8 |
| 7b (CH3) | 21 |
