Spektraris NMR
Isomalabaricatrienol
Common Name: Isomalabaricatrienol
Synonyms: Isomalabaricatrienol
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-21(2)11-9-12-22(3)13-10-14-23(4)24-15-16-26-29(24,7)19-17-25-28(5,6)27(31)18-20-30(25,26)8/h11,13,24-27,31H,4,9-10,12,14-20H2,1-3,5-8H3/b22-13+/t24-,25-,26+,27-,29+,30-/m0/s1
InChIKey: InChIKey=KHWWMKHRNJOWOY-IHWLSZJGSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lodeiro, S., Wilson, W.K., Shan, H., Matsuda, S.P. Org Lett (2006) 8, 439-42
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Isomalabaricanes; 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) | 34.28 |
| 2 (CH2) | 29.19 |
| 3 (CH) | 79.53 |
| 4 (C) | 39.08 |
| 5 (CH) | 46.71 |
| 6 (CH2) | 18.55 |
| 7 (CH2) | 31.94 |
| 8 (C) | 44.8 |
| 9 (CH) | 52.33 |
| 10 (C) | 35.28 |
| 11 (CH2) | 20.75 |
| 12 (CH2) | 28.37 |
| 13 (CH) | 56.48 |
| 14 (C) | 155.09 |
| 15 (CH2) | 39.23 |
| 16 (CH2) | 26.54 |
| 17 (CH) | 124.16 |
| 18 (CH2) | 109.14 |
| 19 (CH3) | 23.12 |
| 20 (C) | 135.15 |
| 21 (CH3) | 16.02 |
| 22 (CH2) | 39.7 |
| 23 (CH2) | 26.73 |
| 24 (CH) | 124.38 |
| 25 (C) | 131.29 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.69 |
| 28 (CH3) | 29.09 |
| 29 (CH3) | 15.81 |
| 30 (CH3) | 29.65 |
