Spektraris NMR
Kadsuracoccinic Acid B
Common Name: Kadsuracoccinic Acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-20(2)10-9-11-22(5)24-14-18-30(8)26-13-12-23(21(3)4)28(6,17-16-27(31)32)25(26)15-19-29(24,30)7/h10,15,22-24,26H,3,9,11-14,16-19H2,1-2,4-8H3,(H,31,32)/t22-,23+,24-,26-,28+,29-,30+/m1/s1
InChIKey: InChIKey=XRIHZHOYMJHOPT-JGAVTFKTSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, H., Wang, L., Miyata, S., Kitanaka, S. J Nat Prod (2008) 71, 739-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 34.1 |
| 2 (CH2) | 29.2 |
| 3 (C) | 180.9 |
| 4 (C) | 149.8 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 28.8 |
| 7 (CH2) | 28.3 |
| 8 (CH) | 38.7 |
| 9 (C) | 146.7 |
| 10 (C) | 51.5 |
| 11 (CH) | 117.7 |
| 12 (CH2) | 33.9 |
| 13 (C) | 43.6 |
| 14 (C) | 36.3 |
| 15 (CH2) | 29.7 |
| 16 (CH2) | 18.6 |
| 17 (CH) | 53 |
| 18 (CH3) | 21.7 |
| 19 (CH3) | 27.5 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 36.1 |
| 23 (CH2) | 25 |
| 24 (CH) | 125.2 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.7 |
| 28 (CH2) | 111.9 |
| 29 (CH3) | 26.3 |
| 30 (CH3) | 24.1 |
