Spektraris NMR
Dehydrootostegin B
Common Name: Dehydrootostegin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-13-16(25)17(27-14(2)23)18-19(3,4)7-6-8-20(18,5)22(13)10-9-21(28-22)11-15(24)26-12-21/h13,17-18H,6-12H2,1-5H3/t13-,17-,18+,20+,21+,22-/m1/s1
InChIKey: InChIKey=JPVLHYPFQFKCNU-AZKGYSQHSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Al-Musayeib, N.M., Abbas, F.A., Ahmad, M.S., Mossa, J.S., El-Feraly, F.S. Phytochemistry (2000) 54, 771-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 35 |
| 2 (CH2) | 19 |
| 3 (CH2) | 44.1 |
| 4 (C) | 35.3 |
| 5 (CH) | 50.7 |
| 6 (CH) | 77.2 |
| 7 (C) | 204.3 |
| 8 (CH) | 46.5 |
| 9 (C) | 98.5 |
| 10 (C) | 43.8 |
| 11 (CH2) | 30 |
| 12 (CH2) | 38.1 |
| 13 (C) | 87 |
| 14 (CH2) | 43 |
| 15 (C) | 174.7 |
| 16 (CH2) | 78.5 |
| 17 (CH3) | 9.6 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 24.3 |
| 20 (CH3) | 20.3 |
| 6b (C) | 169.8 |
| 6c (CH3) | 21.8 |
