Spektraris NMR
Sphenalactone A
Common Name: Sphenalactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O8/c1-12-17-18(33-21(12)29)16-19-24(4,22(30)25(16,5)31)8-9-26-10-13-11-32-23(2,3)14(13)6-7-15(26)20(28)27(19,34-17)35-26/h6-7,11-12,16-19,31H,8-10H2,1-5H3/t12-,16+,17+,18+,19-,24-,25+,26-,27-/m0/s1
InChIKey: InChIKey=NTTNNBFBFNBAKE-CVNJYQOCSA-N
Formula: C27H30O8
Molecular Weight: 482.523331
Exact Mass: 482.194068
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) | 158.9 |
| 4 (C) | 92.2 |
| 5 (C) | 165.6 |
| 6 (CH) | 106.2 |
| 7 (CH) | 129.9 |
| 8 (C) | 114.2 |
| 9 (C) | 84.7 |
| 10 (C) | 130.7 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 31.4 |
| 13 (C) | 50.4 |
| 14 (C) | 196.8 |
| 15 (C) | 99.8 |
| 16 (CH) | 45.4 |
| 17 (C) | 219.9 |
| 18 (CH3) | 27.4 |
| 19 (CH2) | 35.2 |
| 20 (C) | 74.6 |
| 21 (CH3) | 24.6 |
| 22 (CH) | 42 |
| 23 (CH) | 73.7 |
| 24 (CH) | 71.6 |
| 25 (CH) | 42.4 |
| 26 (C) | 177.8 |
| 27 (CH3) | 8.4 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 27.8 |
