Spektraris NMR
NeocaesalpinO
Common Name: NeocaesalpinO
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O10/c1-12(27)33-18-8-9-23(4,5)26(32)22(35-14(3)29)21(34-13(2)28)20-16(24(18,26)6)10-17-15(25(20,7)31)11-19(30)36-17/h10-11,16,18,20-22,31-32H,8-9H2,1-7H3/t16-,18-,20-,21+,22-,24-,25+,26+/m0/s1
InChIKey: InChIKey=XKLBSFHFNUCCKY-UXYMEOMDSA-N
Formula: C26H34O10
Molecular Weight: 506.543168
Exact Mass: 506.215197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yin, Y.H., Ma, L., Hu, L.H. Helv Chim Acta (2008) 91, 972-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 73.8 |
| 2 (CH2) | 22.2 |
| 3 (CH2) | 32 |
| 4 (C) | 38.4 |
| 5 (C) | 79 |
| 6 (CH) | 74.1 |
| 7 (CH) | 71.5 |
| 8 (CH) | 47.7 |
| 9 (CH) | 38.1 |
| 10 (C) | 44.8 |
| 11 (CH) | 107.9 |
| 12 (C) | 149.7 |
| 13 (C) | 163 |
| 14 (C) | 72.2 |
| 15 (CH) | 110.4 |
| 16 (C) | 168.9 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 29.6 |
| 19 (CH3) | 23.4 |
| 20 (CH3) | 18.7 |
| 1a (C) | 168.7 |
| 1b (CH3) | 21 |
| 6a (C) | 170.1 |
| 6b (CH3) | 21 |
| 7a (C) | 170.2 |
| 7b (CH3) | 21.3 |
