Spektraris NMR
(3b,20R)-20-Hydroxylanost-25-en-3-yl palmitate
Common Name: (3b,20R)-20-Hydroxylanost-25-en-3-yl palmitate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H82O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-25-41(47)49-40-30-32-43(6)36-28-33-45(8)39(46(9,48)31-23-24-35(2)3)29-34-44(45,7)37(36)26-27-38(43)42(40,4)5/h36-40,48H,2,10-34H2,1,3-9H3/t36-,37+,38-,39-,40-,43+,44-,45+,46+/m0/s1
InChIKey: InChIKey=IJUSRCSEEQJAIC-RGCNUXDKSA-N
Formula: C46H82O3
Molecular Weight: 683.143208
Exact Mass: 682.626396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, H.X., Li, Y., Pan, J., Gao, K. Helv Chim Acta (2006) 89, 558-66
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) | 31.1 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 80.5 |
| 4 (C) | 37.9 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 42.3 |
| 9 (CH) | 50.5 |
| 10 (C) | 37 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 35.1 |
| 13 (C) | 40.3 |
| 14 (C) | 50.3 |
| 15 (CH2) | 38.6 |
| 16 (CH2) | 25.2 |
| 17 (CH) | 50.1 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 16.4 |
| 20 (C) | 75.1 |
| 21 (CH3) | 25.4 |
| 22 (CH2) | 36.6 |
| 23 (CH2) | 22.7 |
| 24 (CH2) | 38.6 |
| 25 (C) | 147.6 |
| 26 (CH2) | 111 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 28 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 16.3 |
| 3a (C) | 173.7 |
| 3b (CH2) | 34.9 |
| 3c (CH2) | 24.8 |
| 3d (CH2) | 29.3 |
| 3e (CH2) | 29.3 |
| 3f (CH2) | 29.3 |
| 3g (CH2) | 29.3 |
| 3h (CH2) | 29.3 |
| 3i (CH2) | 29.2 |
| 3j (CH2) | 29.2 |
| 3k (CH2) | 29.2 |
| 3l (CH2) | 29.2 |
| 3m (CH2) | 29.2 |
| 3n (CH2) | 31.9 |
| 3o (CH2) | 22.7 |
| 3p (CH3) | 14.1 |
