Spektraris NMR
Androsacenol
Common Name: Androsacenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O6/c1-19(34)38-25-16-27(4,17-33)14-22-31(25)18-37-32(22)13-9-21-28(5)11-10-23(35)26(2,3)20(28)8-12-29(21,6)30(32,7)15-24(31)36/h9,13,17,20-25,35-36H,8,10-12,14-16,18H2,1-7H3/t20-,21+,22+,23-,24+,25+,27+,28-,29+,30-,31-,32-/m0/s1
InChIKey: InChIKey=SSLMXLOKUXMQRE-BRJXKIQKSA-N
Formula: C32H48O6
Molecular Weight: 528.721134
Exact Mass: 528.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Waltho J. P., Williams D. H. , Mahato S. B., Pal B. C., Barna J. C. J. J Chem Soc, Perkin Trans 1 (1986) 0, 1527-31
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.6 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.7 |
| 8 (C) | 42.9 |
| 9 (CH) | 47.6 |
| 10 (C) | 37.3 |
| 11 (CH) | 19.2 |
| 12 (CH) | 31.8 |
| 13 (C) | 86.1 |
| 14 (C) | 44.6 |
| 15 (CH2) | 34.4 |
| 16 (CH) | 73.2 |
| 17 (C) | 46.5 |
| 18 (CH) | 50.6 |
| 19 (CH2) | 36.8 |
| 20 (C) | 47.6 |
| 21 (CH2) | 30.1 |
| 22 (CH) | 74.1 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 20.1 |
| 28 (CH2) | 70.3 |
| 29 (CH3) | 24.2 |
| 30 (CH) | 205.3 |
| 22a (C) | 169.8 |
| 22b (CH3) | 20.9 |
