Spektraris NMR
Schindilactone F
Common Name: Schindilactone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O10/c1-12-17-19-18(13(2)23(33)35-19)37-29-20(17)25(5,21(12)31)8-9-26(39-29)11-27-15(7-6-14(26)22(29)32)24(3,4)38-28(27,34)10-16(30)36-27/h12-15,17-20,34H,6-11H2,1-5H3/t12-,13-,14-,15-,17+,18+,19+,20-,25-,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=OJYVQFHFHIUMPE-YHXPQXIDSA-N
Formula: C29H36O10
Molecular Weight: 544.591257
Exact Mass: 544.230847
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Han, Q.B., Lei, C., Pu, J.X., Xiao, W.L., Yu, J.L., Yang, L.M., Xu, H.X., Zheng, Y.T., Sun, H.D. Tetrahedron (2008) 64, 4260-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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 (C) | 108.1 |
| 2 (CH2) | 43.5 |
| 3 (C) | 172.6 |
| 4 (C) | 85.2 |
| 5 (CH) | 58 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 19.9 |
| 8 (CH) | 48.6 |
| 9 (C) | 81.4 |
| 10 (C) | 98.7 |
| 11 (CH2) | 35.9 |
| 12 (CH2) | 31.4 |
| 13 (C) | 49.9 |
| 14 (C) | 209.6 |
| 15 (C) | 98.9 |
| 16 (CH) | 44.3 |
| 17 (C) | 220 |
| 18 (CH3) | 25.8 |
| 19 (CH2) | 43.2 |
| 20 (CH) | 44.7 |
| 21 (CH3) | 15 |
| 22 (CH) | 40.1 |
| 23 (CH) | 75.3 |
| 24 (CH) | 69.1 |
| 25 (CH) | 42.1 |
| 26 (C) | 177.8 |
| 27 (CH3) | 8.3 |
| 28 (CH3) | 29.9 |
| 29 (CH3) | 25.3 |
