Spektraris NMR
Adiantulanosterol monoacetate
Common Name: Adiantulanosterol monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O2/c1-22(2)11-9-12-23(3)25-16-20-32(21-34-24(4)33)27-13-14-28-29(5,6)17-10-18-30(28,7)26(27)15-19-31(25,32)8/h12,22,25-28H,9-11,13-21H2,1-8H3/b23-12-/t25-,26+,27-,28+,30-,31-,32-/m1/s1
InChIKey: InChIKey=QWVPNSLBDLEGGC-AZLFFAJSSA-N
Formula: C32H54O2
Molecular Weight: 470.771159
Exact Mass: 470.412381
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) | 35.66 |
| 2 (CH2) | 28.35 |
| 3 (CH2) | 28.98 |
| 4 (C) | 38.96 |
| 5 (CH) | 58.37 |
| 6 (CH2) | 18.06 |
| 7 (CH2) | 29.63 |
| 8 (CH) | 59.89 |
| 9 (CH) | 49.89 |
| 10 (C) | 38.77 |
| 11 (CH2) | 18.71 |
| 12 (CH2) | 39.43 |
| 13 (C) | 43.85 |
| 14 (C) | 43.06 |
| 15 (CH2) | 28.67 |
| 16 (CH2) | 29.41 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 16.33 |
| 19 (CH3) | 15.76 |
| 20 (C) | 144.1 |
| 21 (CH3) | 18.15 |
| 22 (CH) | 121.23 |
| 23 (CH2) | 19.96 |
| 24 (CH2) | 20.39 |
| 25 (CH) | 30.76 |
| 26 (CH3) | 21.96 |
| 27 (CH3) | 23.21 |
| 28 (CH3) | 21.96 |
| 29 (CH3) | 15.64 |
| 30 (CH2) | 64.91 |
| 30a (C) | 171.82 |
| 30b (CH3) | 21.06 |
