Spektraris NMR
Iritectol A
Common Name: Iritectol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-21(2)10-8-11-22(3)13-14-26(33)30(7)27(35-30)16-17-28(5)25(12-9-19-31)24(23(4)20-32)15-18-29(28,6)34/h10,13,20,25-27,31,33-34H,8-9,11-12,14-19H2,1-7H3/b22-13+,24-23-/t25-,26-,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=PWIUYVBRAXUOPC-WHWPZJCMSA-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) | 32.6 |
| 3 (CH2) | 63 |
| 4 (C) | 133.3 |
| 5 (C) | 162.6 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 37 |
| 8 (C) | 74.9 |
| 9 (C) | 44.5 |
| 10 (CH) | 43.6 |
| 11 (CH2) | 33.7 |
| 12 (CH2) | 22.6 |
| 13 (CH) | 61.6 |
| 14 (C) | 63.5 |
| 15 (CH) | 75.5 |
| 16 (CH2) | 31.8 |
| 17 (CH) | 119.1 |
| 18 (C) | 138.8 |
| 19 (CH2) | 39.8 |
| 20 (CH2) | 26.5 |
| 21 (CH) | 124 |
| 22 (C) | 131.7 |
| 23 (CH) | 189.8 |
| 24 (CH3) | 11 |
| 25 (CH3) | 26.3 |
| 26 (CH3) | 18 |
| 27 (CH3) | 12.1 |
| 28 (CH3) | 16.2 |
| 29 (CH3) | 17.7 |
| 30 (CH3) | 25.7 |
