Spektraris NMR
Inflexin
Common Name: Inflexin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O7/c1-11-14-7-16(30-12(2)25)20-23(6)17(28)8-18(31-13(3)26)22(4,5)19(23)15(27)10-24(20,9-14)21(11)29/h14,16-20,28H,1,7-10H2,2-6H3/t14-,16+,17+,18+,19-,20+,23-,24+/m1/s1
InChIKey: InChIKey=LSJBRRZMOVGSIZ-XRBPMINJSA-N
Formula: C24H32O7
Molecular Weight: 432.5076
Exact Mass: 432.214803
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jiang, B., Lu, Z.Q., Hou, A.J., Zhao, Q.S., Sun, H.D. J Nat Prod (1999) 62, 941-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 74.2 |
| 2 (CH2) | 33.3 |
| 3 (CH) | 78.7 |
| 4 (C) | 36.2 |
| 5 (CH) | 59.3 |
| 6 (C) | 210.6 |
| 7 (CH2) | 50.5 |
| 8 (C) | 54.8 |
| 9 (CH) | 60 |
| 10 (C) | 50.8 |
| 11 (CH) | 70.9 |
| 12 (CH2) | 37.5 |
| 13 (CH) | 37 |
| 14 (CH2) | 36.8 |
| 15 (C) | 205.1 |
| 16 (C) | 150 |
| 17 (CH2) | 113.4 |
| 18 (CH3) | 26.6 |
| 19 (CH3) | 22 |
| 20 (CH3) | 15.7 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.4 |
| 11a (C) | 169.5 |
| 11b (CH3) | 20.9 |
