Spektraris NMR
Dammara-12,20(22)Z-dien-3-one
Common Name: Dammara-12,20(22)Z-dien-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h11-12,20,22,24-25H,9-10,13-19H2,1-8H3/b21-11-/t22-,24-,25+,28-,29+,30+/m0/s1
InChIKey: InChIKey=SXTIDPQFHVNBMX-RWCQTSTGSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Ilyas, F., Rasheed, M., Begum, S. Phytochemistry (2004) 65, 2077-84
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) | 39.8 |
| 2 (CH2) | 34.1 |
| 3 (C) | 216.5 |
| 4 (C) | 47.3 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 22.7 |
| 7 (CH2) | 31.9 |
| 8 (C) | 38.8 |
| 9 (CH) | 46 |
| 10 (C) | 36.6 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 118.1 |
| 13 (C) | 158 |
| 14 (C) | 55.4 |
| 15 (CH2) | 24.7 |
| 16 (CH2) | 29.1 |
| 17 (CH) | 51.21 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 15.9 |
| 20 (C) | 142.5 |
| 21 (CH3) | 22.68 |
| 22 (CH) | 129.7 |
| 23 (CH2) | 23.7 |
| 24 (CH2) | 39.3 |
| 25 (CH) | 27.9 |
| 26 (CH3) | 22.61 |
| 27 (CH3) | 22.5 |
| 28 (CH3) | 32.6 |
| 29 (CH3) | 19.73 |
| 30 (CH3) | 14.1 |
