Spektraris NMR
Coccinilactone A
Common Name: Coccinilactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(2)17-21(31)18-20(3)22-11-15-30(8)24-9-10-25-27(4,5)33-26(32)13-14-28(25,6)23(24)12-16-29(22,30)7/h12,19-20,22,24-25H,9-11,13-18H2,1-8H3/t20-,22-,24-,25+,28-,29-,30+/m1/s1
InChIKey: InChIKey=OEOHDJQOOIVDBQ-CWIFRZCHSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, N., Li, Z., Song, D., Li, W., Fu, H., Koike, K., Pei, Y., Jing, Y., Hua, H. J Nat Prod (2008) 71, 990-4
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) | 34.9 |
| 2 (CH2) | 32.3 |
| 3 (C) | 174.4 |
| 4 (C) | 85.9 |
| 5 (CH) | 52.9 |
| 6 (CH2) | 25.7 |
| 7 (CH2) | 28.4 |
| 8 (CH) | 42.2 |
| 9 (C) | 147.2 |
| 10 (C) | 42.2 |
| 11 (CH) | 117.4 |
| 12 (CH2) | 37.6 |
| 13 (C) | 44.3 |
| 14 (C) | 47.5 |
| 15 (CH2) | 34 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 14.7 |
| 19 (CH3) | 23.7 |
| 20 (CH) | 33 |
| 21 (CH3) | 19.7 |
| 22 (CH2) | 50.7 |
| 23 (C) | 210.2 |
| 24 (CH2) | 52.5 |
| 25 (CH) | 24.7 |
| 26 (CH3) | 22.6 |
| 27 (CH3) | 22.7 |
| 28 (CH3) | 33 |
| 29 (CH3) | 25.4 |
| 30 (CH3) | 18.6 |
