Spektraris NMR
Lemnabourside B
Common Name: Lemnabourside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O7/c1-15-9-11-20-17(3)10-12-21(22(20)13-15)16(2)7-6-8-18(4)27-32-14-23-24(30)26(33-19(5)29)25(31)28(34-23)35-27/h10,13,16,18,20-28,30-31H,6-9,11-12,14H2,1-5H3/t16?,18-,20-,21+,22-,23+,24+,25+,26-,27-,28-/m1/s1
InChIKey: InChIKey=RRGFNINTSUEEEO-UVSNVMODSA-N
Formula: C28H44O7
Molecular Weight: 492.645833
Exact Mass: 492.308704
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, M., Huang, Z. J Nat Prod (1998) 61, 1300-1
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Bifloranes; 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) | 25.4 |
| 2 (CH2) | 31 |
| 3 (C) | 134.6 |
| 4 (CH) | 124.2 |
| 5 (CH) | 36.9 |
| 6 (CH) | 39.4 |
| 7 (CH2) | 30 |
| 8 (CH) | 121.8 |
| 9 (C) | 136.4 |
| 10 (CH) | 39.9 |
| 11 (CH) | 32.1 |
| 12 (CH2) | 36.3 |
| 13 (CH2) | 24.9 |
| 14 (CH2) | 32.3 |
| 15 (CH) | 38.3 |
| 16 (CH) | 102 |
| 17 (CH3) | 21.7 |
| 18 (CH3) | 20.8 |
| 19 (CH3) | 13.6 |
| 20 (CH3) | 14.4 |
| 1' (CH) | 101.8 |
| 2' (CH) | 78.5 |
| 3' (CH) | 69.1 |
| 4' (CH) | 77 |
| 5' (CH) | 74.6 |
| 6' (CH2) | 68.2 |
| 3'b (C) | 170.4 |
| 3'c (CH3) | 23.9 |
