Spektraris NMR
Cylindrictone A
Common Name: Cylindrictone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h9-10,20-23,25,31,33H,1,11-18H2,2-8H3/b10-9+/t20-,21+,22-,23+,25-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=YYPWFMGQIBDJFI-ZQNKZDKZSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tu, L., Zhao, Y., Yu, Z.Y., Cong, Y.W., Xu, G., Peng, L.Y., Zhang, P.T., Cheng, X., Zhao, Q.S. Helv Chim Acta (2008) 91, 1578-87
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.7 |
| 2 (CH2) | 34 |
| 3 (C) | 217.9 |
| 4 (C) | 47.4 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 34 |
| 8 (C) | 39.6 |
| 9 (CH) | 49.3 |
| 10 (C) | 36.8 |
| 11 (CH2) | 31.4 |
| 12 (CH) | 70.7 |
| 13 (CH) | 48.3 |
| 14 (C) | 51.6 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 26.4 |
| 17 (CH) | 52.3 |
| 18 (CH3) | 16.7 |
| 19 (CH3) | 15.3 |
| 20 (C) | 74.4 |
| 21 (CH3) | 27.7 |
| 22 (CH2) | 39 |
| 23 (CH) | 125.3 |
| 24 (CH) | 136.8 |
| 25 (C) | 141.7 |
| 26 (CH2) | 115.4 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 21 |
| 30 (CH3) | 15.9 |
