Spektraris NMR
6b-Hydroxytaraxasta-20-ene 3b-palmitate
Common Name: 6b-Hydroxytaraxasta-20-ene 3b-palmitate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(48)49-38-27-29-44(7)37-25-24-35-40-34(3)33(2)26-28-43(40,6)30-31-45(35,8)46(37,9)32-36(47)41(44)42(38,4)5/h26,34-38,40-41,47H,10-25,27-32H2,1-9H3/t34-,35-,36-,37-,38+,40+,41+,43-,44-,45-,46-/m1/s1
InChIKey: InChIKey=QNARVKPLYGLPRH-QKGYUSLASA-N
Formula: C46H80O3
Molecular Weight: 681.127326
Exact Mass: 680.610746
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Flagg, M.L., Valcic, S., Montenegro, G., Gomez, M., Timmermann, B.N. Phytochemistry (1999) 52, 1345-50
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxastanes; 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) | 40.6 |
| 2 (CH2) | 24.6 |
| 3 (CH) | 81 |
| 4 (C) | 39.2 |
| 5 (CH) | 56 |
| 6 (CH) | 67.6 |
| 7 (CH2) | 42.3 |
| 8 (C) | 40.6 |
| 9 (CH) | 51.2 |
| 10 (C) | 37 |
| 11 (CH2) | 22 |
| 12 (CH2) | 28.1 |
| 13 (CH) | 38.6 |
| 14 (C) | 42.7 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 37.1 |
| 17 (C) | 34.6 |
| 18 (CH) | 49.1 |
| 19 (CH) | 36.5 |
| 20 (C) | 140 |
| 21 (CH) | 119.4 |
| 22 (CH2) | 42.5 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 18.7 |
| 25 (CH3) | 18 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 15.2 |
| 28 (CH3) | 17.9 |
| 29 (CH3) | 22.8 |
| 30 (CH3) | 21.8 |
| 3a (C) | 170.5 |
| 3b (CH2) | 32.1 |
| 3c (CH2) | 29.7 |
| 3d (CH2) | 29.7 |
| 3e (CH2) | 29.7 |
| 3f (CH2) | 29.7 |
| 3g (CH2) | 29.7 |
| 3h (CH2) | 29.7 |
| 3i (CH2) | 29.7 |
| 3j (CH2) | 29.7 |
| 3k (CH2) | 29.7 |
| 3l (CH2) | 29.7 |
| 3m (CH2) | 29.7 |
| 3n (CH2) | 25.6 |
| 3o (CH2) | 23 |
| 3p (CH3) | 14.3 |
