Spektraris NMR
Sphenasin A
Common Name: Sphenasin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O4/c1-15-6-7-20(30)31-17-13-25(5)22-16(28)12-18-23(2,3)19(29)8-9-26(18)14-27(22,26)11-10-24(25,4)21(15)17/h8-9,15-18,21-22,28H,6-7,10-14H2,1-5H3/t15-,16+,17-,18+,21+,22+,24-,25+,26-,27+/m1/s1
InChIKey: InChIKey=JTYFNPPXDSFFCZ-CBGIEGCTSA-N
Formula: C27H38O4
Molecular Weight: 426.589238
Exact Mass: 426.27701
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiao, W.L., Huang, S.X., Pu, R.J.X., Lu, Y., Zheng, Y.T. Phytochemistry (2008) 69, 2862-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 153.5 |
| 2 (CH) | 127.2 |
| 3 (C) | 203.9 |
| 4 (C) | 45.9 |
| 5 (CH) | 43.2 |
| 6 (CH2) | 30.9 |
| 7 (CH) | 68.3 |
| 8 (CH) | 52.5 |
| 9 (C) | 24.9 |
| 10 (C) | 30.3 |
| 11 (CH2) | 27.5 |
| 12 (CH2) | 31.7 |
| 13 (C) | 47.9 |
| 14 (C) | 47.4 |
| 15 (CH2) | 44 |
| 16 (CH) | 83.7 |
| 17 (CH) | 59.6 |
| 18 (CH3) | 17.4 |
| 19 (CH2) | 28.4 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 21.9 |
| 22 (CH2) | 33.8 |
| 23 (CH2) | 34.4 |
| 24 (C) | 175.2 |
| 28 (CH3) | 19.3 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 19.5 |
