Spektraris NMR
Psammocinin B
Common Name: Psammocinin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O6/c1-18(12-8-14-20(3)16-23-25(28)21(4)26(29)32-23)10-7-11-19(2)13-9-15-22-17-24(30-5)33-27(22)31-6/h10,13,16-17,20,24,27-28H,7-9,11-12,14-15H2,1-6H3/b18-10+,19-13+,23-16-
InChIKey: InChIKey=NOHWRIRNNOPMMP-JFFUMAPSSA-N
Formula: C27H40O6
Molecular Weight: 460.603929
Exact Mass: 460.282489
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Choi, K., Hong, J., Lee, C.O., Kim, D.K., Sim, C.J., Im, K.S., Jung, J.H. J Nat Prod (2004) 67, 1186-9
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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 (CH) | 109.1 |
| 2 (CH) | 124.8 |
| 3 (C) | 146.5 |
| 4 (CH) | 108.1 |
| 5 (CH2) | 26.8 |
| 6 (CH2) | 27.4 |
| 7 (CH) | 125.9 |
| 8 (C) | 136.9 |
| 9 (CH3) | 16.1 |
| 10 (CH2) | 40.4 |
| 11 (CH2) | 27.5 |
| 12 (CH) | 125.5 |
| 13 (C) | 135.9 |
| 14 (CH3) | 15.9 |
| 15 (CH2) | 40.6 |
| 16 (CH2) | 26.7 |
| 17 (CH2) | 37.6 |
| 18 (CH) | 31.8 |
| 19 (CH3) | 21.1 |
| 20 (CH) | 115.4 |
| 21 (C) | 145.3 |
| 22 (C) | 165.7 |
| 23 (C) | 98.3 |
| 24 (C) | 173.8 |
| 25 (CH3) | 6 |
| 1a (CH3) | 54.21 |
| 4a (CH3) | 54.17 |
