Spektraris NMR
Orton acetal
Common Name: Orton acetal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O2/c1-20-21-12-16-30(7)24-11-10-23-27(4)15-9-14-26(2,3)22(27)13-17-28(23,5)29(24,6)18-19-31(21,30)33-25(20)32-8/h20-25H,9-19H2,1-8H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+,31+/m0/s1
InChIKey: InChIKey=MMPZIZSTFZWPPF-RHYMTHCLSA-N
Formula: C31H52O2
Molecular Weight: 456.744542
Exact Mass: 456.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ageta H., Arai Y. J Nat Prod (1990) 53, 325-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 40.4 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 33.3 |
| 8 (C) | 42.7 |
| 9 (CH) | 50.8 |
| 10 (C) | 37.5 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 24 |
| 13 (CH) | 46.5 |
| 14 (C) | 41.2 |
| 15 (CH2) | 38.2 |
| 16 (CH2) | 22 |
| 17 (C) | 98.4 |
| 18 (C) | 49.4 |
| 19 (CH2) | 40.4 |
| 20 (CH2) | 28.1 |
| 21 (CH) | 40.4 |
| 22 (CH) | 56.3 |
| 23 (CH3) | 33.4 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 17.5 |
| 28 (CH3) | 16.2 |
| 29 (CH3) | 10.1 |
| 30 (CH) | 105.6 |
| 3a (CH3) | 54.9 |
