Spektraris NMR
Cylindrictone B
Common Name: Cylindrictone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-23(2)18-8-13-25(4)19(24(18,3)11-9-20(23)29)15-17(28)22-16(7-12-26(22,25)5)27(6)14-10-21(30)31-27/h10,14,16-19,22,28H,7-9,11-13,15H2,1-6H3/t16-,17+,18-,19+,22-,24-,25+,26+,27-/m0/s1
InChIKey: InChIKey=UNZUGARKSRSKDR-GVIASLCXSA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
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) | 39.5 |
| 2 (CH2) | 33.8 |
| 3 (C) | 217.6 |
| 4 (C) | 47.1 |
| 5 (CH) | 55 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 33.8 |
| 8 (C) | 39.3 |
| 9 (CH) | 49.2 |
| 10 (C) | 36.5 |
| 11 (CH2) | 32.4 |
| 12 (CH) | 70.8 |
| 13 (CH) | 49.7 |
| 14 (C) | 51.8 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 47 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 14.9 |
| 20 (C) | 91.8 |
| 21 (CH3) | 22.6 |
| 22 (CH) | 161.3 |
| 23 (CH) | 120.6 |
| 24 (C) | 172.2 |
| 28 (CH3) | 26.4 |
| 29 (CH3) | 20.7 |
| 30 (CH3) | 15.7 |
