Spektraris NMR
tithofolinolide
Common Name: tithofolinolide
Synonyms: tithofolinolide
CAS Registry Number:
InChI: InChI=1S/C21H30O8/c1-9(2)18(24)28-12-8-20(5)13(23)7-14(27-11(4)22)21(6,26)17(20)16-15(12)10(3)19(25)29-16/h9,12-17,23,26H,3,7-8H2,1-2,4-6H3/t12-,13-,14+,15-,16+,17-,20+,21-/m1/s1
InChIKey: InChIKey=UABMYELNJDXARW-SYUVKRIKSA-N
Formula: C21H30O8
Molecular Weight: 410.458916
Exact Mass: 410.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gu, J.Q., Gills, J.J., Park, E.J., Mata-Greenwood, E., Hawthorne, M.E., Axelrod, F., Chavez, P.I., Fong, H.H., Mehta, R.G., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2002) 65, 532-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 75.8 |
| 2 (CH2) | 33.1 |
| 3 (CH) | 75.9 |
| 4 (C) | 73.6 |
| 5 (CH) | 54.8 |
| 6 (CH) | 75.9 |
| 7 (CH) | 53.1 |
| 8 (CH) | 65.7 |
| 9 (CH2) | 43.4 |
| 10 (C) | 42.1 |
| 11 (C) | 133 |
| 12 (C) | 168.6 |
| 13 (CH2) | 120.7 |
| 14 (CH3) | 16.1 |
| 15 (CH3) | 19.2 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21.3 |
| 8a (C) | 176.1 |
| 8b (CH) | 34.3 |
| 8c (CH3) | 19.1 |
| 8ba (CH3) | 18.9 |
