Spektraris NMR
Sasanquyl acetate
Common Name: Sasanquyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O2/c1-23(2)12-10-16-29(6)17-20-32(9)28-15-14-26(24(3)4)27(13-11-21-34-25(5)33)31(28,8)19-18-30(32,7)22-29/h12,27-28H,10-11,13-22H2,1-9H3/t27-,28?,29-,30+,31+,32-/m1/s1
InChIKey: InChIKey=YOHVGANXDZNQSU-MSOWXBGASA-N
Formula: C32H54O2
Molecular Weight: 470.771159
Exact Mass: 470.412381
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Yasukawa, K., Kimura, Y., Yamanouchi, S., Tamura, T. Phytochemistry (1998) 48, 301-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : D:B-Friedobaccharanes; 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) | 26.6 |
| 2 (CH2) | 27.8 |
| 3 (CH2) | 65.3 |
| 4 (C) | 122.2 |
| 5 (C) | 134.3 |
| 6 (CH2) | 23.9 |
| 7 (CH2) | 21.9 |
| 8 (CH) | 43.1 |
| 9 (C) | 38.6 |
| 10 (CH) | 54.8 |
| 11 (CH2) | 38.3 |
| 12 (CH2) | 32.8 |
| 13 (C) | 36.6 |
| 14 (C) | 38.5 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 34.6 |
| 17 (C) | 31.9 |
| 18 (CH2) | 44.4 |
| 19 (CH2) | 43.2 |
| 20 (CH2) | 23.2 |
| 21 (CH) | 125.3 |
| 22 (C) | 130.7 |
| 23 (CH3) | 20.7 |
| 24 (CH3) | 20.5 |
| 25 (CH3) | 19.4 |
| 26 (CH3) | 15.4 |
| 27 (CH3) | 20.3 |
| 28 (CH3) | 32.9 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 25.7 |
| 3a (C) | 171.3 |
| 3b (CH3) | 21.1 |
