Spektraris NMR
Sphenalactone B
Common Name: Sphenalactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O8/c1-12-16-17-21(25(5,31)22(30)33-17)34-27-18(16)24(4,19(12)28)8-9-26(35-27)10-13-11-32-23(2,3)14(13)6-7-15(26)20(27)29/h6-7,11-12,16-18,21,31H,8-10H2,1-5H3/t12-,16+,17+,18-,21-,24-,25+,26-,27-/m0/s1
InChIKey: InChIKey=TZWXQFVPZFEFAC-XKGSGODUSA-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) | 165.7 |
| 6 (CH) | 106.2 |
| 7 (CH) | 129.8 |
| 8 (C) | 114.4 |
| 9 (C) | 84.3 |
| 10 (C) | 131.1 |
| 11 (CH2) | 34.9 |
| 12 (CH2) | 32.2 |
| 13 (C) | 51.2 |
| 14 (C) | 197 |
| 15 (C) | 100.6 |
| 16 (CH) | 45.3 |
| 17 (C) | 220.3 |
| 18 (CH3) | 26.8 |
| 19 (CH2) | 35.3 |
| 20 (CH) | 44.8 |
| 21 (CH3) | 14.3 |
| 22 (CH) | 40.3 |
| 23 (CH) | 74.8 |
| 24 (CH) | 72.5 |
| 25 (C) | 76.9 |
| 26 (C) | 177.3 |
| 27 (CH3) | 18.2 |
| 28 (CH3) | 26.8 |
| 29 (CH3) | 27.4 |
