Spektraris NMR
terretonin B
Common Name: terretonin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O10/c1-12-11-25(33)21(4)10-9-13(27)20(2,3)26(21,34)16(29)15(28)23(25,6)14-17(30)36-24(7,19(32)35-8)18(31)22(12,14)5/h14,33-34H,1,9-11H2,2-8H3/t14-,21-,22+,23-,24-,25+,26-/m1/s1
InChIKey: InChIKey=UXTSGZSCMMEVEW-RAXSXEJPSA-N
Formula: C26H32O10
Molecular Weight: 504.527287
Exact Mass: 504.199547
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, G.Y., Li, B.G., Yang, T., Yin, J.H., Qi, H.Y., Liu, G.Y., Zhang, G.L. J Nat Prod (2005) 68, 1243-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Cheilanthanes; 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) | 26.6 |
| 2 (CH2) | 32.6 |
| 3 (C) | 210.9 |
| 4 (C) | 52.1 |
| 5 (C) | 87.5 |
| 6 (C) | 201.1 |
| 7 (C) | 200.5 |
| 8 (C) | 58.9 |
| 9 (C) | 83.5 |
| 10 (C) | 47.4 |
| 11 (CH2) | 34.8 |
| 12 (C) | 139.5 |
| 13 (C) | 48.8 |
| 14 (CH) | 43.6 |
| 15 (C) | 167 |
| 16 (C) | 85.5 |
| 17 (CH3) | 20.9 |
| 18 (C) | 167.9 |
| 19 (CH2) | 115.9 |
| 20 (CH3) | 22.8 |
| 21 (CH3) | 20.5 |
| 22 (CH3) | 20.3 |
| 23 (CH3) | 16.3 |
| 24 (C) | 201.9 |
| 25 (CH3) | 24 |
| 18a (CH3) | 53.1 |
