Spektraris NMR
Adiantulanosterol
Common Name: Adiantulanosterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O/c1-21(2)10-8-11-22(3)23-15-19-30(20-31)25-12-13-26-27(4,5)16-9-17-28(26,6)24(25)14-18-29(23,30)7/h11,21,23-26,31H,8-10,12-20H2,1-7H3/b22-11-/t23-,24+,25-,26+,28-,29-,30-/m1/s1
InChIKey: InChIKey=HIPRLDMIQCTXHV-MIWVKBIMSA-N
Formula: C30H52O1
Molecular Weight: 428.734401
Exact Mass: 428.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alam, M.S., Chopra, N., Ali, M., Niwa, M. Phytochemistry (2000) 54, 215-20
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.82 |
| 2 (CH2) | 28.32 |
| 3 (CH2) | 29.24 |
| 4 (C) | 39.17 |
| 5 (CH) | 58.32 |
| 6 (CH2) | 17.91 |
| 7 (CH2) | 29.55 |
| 8 (CH) | 60.05 |
| 9 (CH) | 50.2 |
| 10 (C) | 38.66 |
| 11 (CH2) | 18.65 |
| 12 (CH2) | 39.14 |
| 13 (C) | 42.7 |
| 14 (C) | 42.46 |
| 15 (CH2) | 29.55 |
| 16 (CH2) | 28.37 |
| 17 (CH) | 51.6 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 15.73 |
| 20 (C) | 143.98 |
| 21 (CH3) | 17.99 |
| 22 (CH) | 120.68 |
| 23 (CH2) | 20.36 |
| 24 (CH2) | 19.89 |
| 25 (CH) | 30.74 |
| 26 (CH3) | 21.92 |
| 27 (CH3) | 22.88 |
| 28 (CH3) | 20.13 |
| 29 (CH3) | 15.45 |
| 30 (CH2) | 64.87 |
