Spektraris NMR
Polyfibrospongol A
Common Name: Polyfibrospongol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O4/c1-15-8-7-9-20-23(15,3)11-10-16(2)24(20,4)14-18-12-17(22(26)28-6)13-19(27-5)21(18)25/h12-13,16,20,25H,1,7-11,14H2,2-6H3/t16-,20+,23+,24+/m0/s1
InChIKey: InChIKey=IUAWHNABWNAJNV-WMTHZFDFSA-N
Formula: C24H34O4
Molecular Weight: 386.525267
Exact Mass: 386.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Hsieh, P.W. J Nat Prod (1997) 60, 93-7
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Friedodrimanes; 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) | 23.1 |
| 2 (CH2) | 27.9 |
| 3 (CH2) | 33.1 |
| 4 (C) | 160.3 |
| 5 (C) | 40.2 |
| 6 (CH2) | 36.6 |
| 7 (CH2) | 27.7 |
| 8 (CH) | 36.4 |
| 9 (C) | 42.1 |
| 10 (CH) | 48 |
| 11 (CH2) | 102.6 |
| 12 (CH3) | 20.6 |
| 13 (CH3) | 17.6 |
| 14 (CH3) | 17.7 |
| 15 (CH2) | 36.8 |
| 1' (C) | 124.4 |
| 2' (C) | 149.2 |
| 3' (C) | 145.8 |
| 4' (CH) | 109 |
| 5' (C) | 120.4 |
| 6' (CH) | 127.5 |
| 3'a (C) | 167.2 |
| 3'b (CH3) | 51.9 |
| 5'a (CH3) | 56.1 |
