Spektraris NMR
3alpha,20-lupandiol
Common Name: 3alpha,20-lupandiol
Synonyms: 3alpha,20-lupandiol
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23-,24-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=YDNYDUBBAZTLTQ-FSEYCXJLSA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, C., Zhang, H.J., Tan, G.T., Hung, N.V., Cuong, N.M., Soejarto, D.D., Fong, H.H. J Nat Prod (2006) 69, 346-50
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 33.2 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 76.2 |
| 4 (C) | 37.5 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.2 |
| 8 (C) | 41.8 |
| 9 (CH) | 50 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 28.2 |
| 13 (CH) | 37.5 |
| 14 (C) | 43.6 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 35.6 |
| 17 (C) | 44.7 |
| 18 (CH) | 48.3 |
| 19 (CH) | 50 |
| 20 (C) | 73.5 |
| 21 (CH2) | 29.1 |
| 22 (CH2) | 40.2 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 22.1 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 15 |
| 28 (CH3) | 19.2 |
| 29 (CH3) | 24.9 |
| 30 (CH3) | 31.5 |
