Spektraris NMR
Sphenalactone D
Common Name: Sphenalactone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O7/c1-12-17-19-18(13(2)23(30)32-19)33-27-20(17)25(5,21(12)28)8-9-26(34-27)10-14-11-31-24(3,4)15(14)6-7-16(26)22(27)29/h6-7,11-13,17-20H,8-10H2,1-5H3/t12-,13-,17+,18+,19+,20-,25-,26-,27-/m0/s1
InChIKey: InChIKey=IMGKQYAFRXUKPQ-WTIBBBFFSA-N
Formula: C27H30O7
Molecular Weight: 466.523926
Exact Mass: 466.199153
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) | 106.3 |
| 7 (CH) | 129.7 |
| 8 (C) | 114.4 |
| 9 (C) | 84.2 |
| 10 (C) | 131.2 |
| 11 (CH2) | 34.9 |
| 12 (CH2) | 31.3 |
| 13 (C) | 51.2 |
| 14 (C) | 197.2 |
| 15 (C) | 100.3 |
| 16 (CH) | 44.9 |
| 17 (C) | 220.4 |
| 18 (CH3) | 26.8 |
| 19 (CH2) | 35.3 |
| 20 (CH) | 45.5 |
| 21 (CH3) | 14.6 |
| 22 (CH) | 40.3 |
| 23 (CH) | 75.2 |
| 24 (CH) | 68.3 |
| 25 (CH) | 42.5 |
| 26 (C) | 177.9 |
| 27 (CH3) | 8.4 |
| 28 (CH3) | 26.8 |
| 29 (CH3) | 27.4 |
