Spektraris NMR
Iritectol B
Common Name: Iritectol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-21(2)11-8-16-29(6)27(33)19-26(35-29)22(3)12-9-15-28(5)25(13-10-18-31)24(23(4)20-32)14-17-30(28,7)34/h11-12,20,25-27,31,33-34H,8-10,13-19H2,1-7H3/b22-12+,24-23-/t25-,26-,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=DFJMIRLFDMBSHL-ZSRWWPQZSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fang, R., Houghton, P.J., Luo, C., Hylands, P.J. Phytochemistry (2007) 68, 1242-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Iridals; 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 (CH2) | 26.6 |
| 2 (CH2) | 32.7 |
| 3 (CH2) | 63 |
| 4 (C) | 133.2 |
| 5 (C) | 163 |
| 6 (CH2) | 23.9 |
| 7 (CH2) | 37 |
| 8 (C) | 75.1 |
| 9 (C) | 44.7 |
| 10 (CH) | 43.4 |
| 11 (CH2) | 36.7 |
| 12 (CH2) | 21.9 |
| 13 (CH) | 125.8 |
| 14 (C) | 135.6 |
| 15 (CH) | 80.1 |
| 16 (CH2) | 39.4 |
| 17 (CH) | 77.1 |
| 18 (C) | 84.6 |
| 19 (CH2) | 38.8 |
| 20 (CH2) | 22.7 |
| 21 (CH) | 124.3 |
| 22 (C) | 131.8 |
| 23 (CH) | 190.1 |
| 24 (CH3) | 11 |
| 25 (CH3) | 26.3 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 11.7 |
| 28 (CH3) | 20 |
| 29 (CH3) | 17.7 |
| 30 (CH3) | 25.7 |
