Spektraris NMR
Pseudodehydrothyrsiferol
Common Name: Pseudodehydrothyrsiferol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O7/c1-19(9-11-21(31)28(6)16-13-22(36-28)26(2,3)32)20-10-12-24-29(7,35-20)18-15-25(34-24)30(8)17-14-23(37-30)27(4,5)33/h20-25,31-33H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25-,28-,29+,30+/m1/s1
InChIKey: InChIKey=PEIHPQOVFCWCMH-KESHJOPMSA-N
Formula: C30H52O7
Molecular Weight: 524.730831
Exact Mass: 524.371304
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Manriquez, C.P., Souto, M.L., Gavin, J.A., Norte, M., Fernandez, J.J. Tetrahedron (2001) 57, 3117-23
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Squalenes; 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 (CH3) | 24 |
| 2 (C) | 70.6 |
| 3 (CH) | 86.7 |
| 4 (CH2) | 26.3 |
| 5 (CH2) | 35.2 |
| 6 (C) | 84 |
| 7 (CH) | 84 |
| 8 (CH2) | 24.5 |
| 9 (CH2) | 38.7 |
| 10 (C) | 72.8 |
| 11 (CH) | 78.9 |
| 12 (CH2) | 21.8 |
| 13 (CH2) | 26.4 |
| 14 (CH) | 72.5 |
| 15 (C) | 151.3 |
| 16 (CH2) | 29.7 |
| 17 (CH2) | 29.9 |
| 18 (CH) | 76.2 |
| 19 (C) | 86.1 |
| 20 (CH2) | 31.6 |
| 21 (CH2) | 26.5 |
| 22 (CH) | 87.6 |
| 23 (C) | 70.4 |
| 24 (CH3) | 23.9 |
| 25 (CH3) | 27.5 |
| 26 (CH3) | 22.7 |
| 27 (CH3) | 19.4 |
| 28 (CH2) | 109.9 |
| 29 (CH3) | 23.7 |
| 30 (CH3) | 27.7 |
