Spektraris NMR
Polyfibrospongol B
Common Name: Polyfibrospongol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O5/c1-15-7-6-8-20-23(15,3)10-9-16(2)24(20,14-25)13-18-11-17(22(27)29-5)12-19(28-4)21(18)26/h11-12,16,20,25-26H,1,6-10,13-14H2,2-5H3/t16-,20+,23+,24-/m0/s1
InChIKey: InChIKey=ASNHSKFUJGXHTM-BTECGJQVSA-N
Formula: C24H34O5
Molecular Weight: 402.524672
Exact Mass: 402.240624
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) | 24.1 |
| 2 (CH2) | 28.3 |
| 3 (CH2) | 33.1 |
| 4 (C) | 159.8 |
| 5 (C) | 40.1 |
| 6 (CH2) | 36.9 |
| 7 (CH2) | 28 |
| 8 (CH) | 36.7 |
| 9 (C) | 46.6 |
| 10 (CH) | 49.5 |
| 11 (CH2) | 103.2 |
| 12 (CH3) | 20.9 |
| 13 (CH3) | 19 |
| 14 (CH2) | 64.5 |
| 15 (CH2) | 37.3 |
| 1' (C) | 124.3 |
| 2' (C) | 149.2 |
| 3' (C) | 146 |
| 4' (CH) | 109.3 |
| 5' (C) | 120.6 |
| 6' (CH) | 127.8 |
| 3'a (C) | 167.1 |
| 3'b (CH3) | 51.2 |
| 5'a (CH3) | 56.1 |
