Spektraris NMR
Sphenalactone C
Common Name: Sphenalactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O9/c1-22(2)13-6-7-14-18(28)27-17-15(16-19(35-27)25(5,32)21(30)34-16)24(4,31)20(29)23(17,3)8-9-26(14,36-27)10-12(13)11-33-22/h6-7,11,15-17,19,31-32H,8-10H2,1-5H3/t15-,16-,17+,19+,23+,24-,25-,26+,27+/m1/s1
InChIKey: InChIKey=VHVWOSAFJYDAEC-WBLVZYFNSA-N
Formula: C27H30O9
Molecular Weight: 498.522736
Exact Mass: 498.188983
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiao, W.L., Yang, L.M., Li, L.M., Pu, J.X., Huang, S.X., Weng, Z.Y., Lei, C., Liu, J.P., Wang, R.R., Zheng, Y.T., Li, R.T., Sun, H.D. Tetrahedron Lett (2007) 48, 5543-6
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 (CH) | 159 |
| 4 (C) | 92.2 |
| 5 (C) | 165.7 |
| 6 (CH) | 106.2 |
| 7 (CH) | 130 |
| 8 (C) | 114.3 |
| 9 (C) | 84.8 |
| 10 (C) | 130.7 |
| 11 (CH2) | 34.7 |
| 12 (CH2) | 31 |
| 13 (C) | 50.4 |
| 14 (C) | 196.8 |
| 15 (C) | 100.7 |
| 16 (CH) | 45.4 |
| 17 (C) | 220 |
| 18 (CH3) | 26.7 |
| 19 (CH2) | 35.3 |
| 20 (C) | 76.7 |
| 21 (CH3) | 23 |
| 22 (CH) | 45.4 |
| 23 (CH) | 75.8 |
| 24 (CH) | 73.4 |
| 25 (C) | 74.7 |
| 26 (C) | 177.3 |
| 27 (CH3) | 18.2 |
| 28 (CH3) | 27.4 |
| 29 (CH3) | 27.8 |
