Spektraris NMR
Dammaranediol II
Common Name: Dammaranediol II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=NLHQJXWYMZLQJY-TXNIMPHESA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wahlberg, I., Hjelte, M.B., Karlson, K., Enzell, C.R. Acta Chem Scand (1978) 25, 3285
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 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 39 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.3 |
| 8 (C) | 40.4 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 42.3 |
| 14 (C) | 50.3 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 24.9 |
| 17 (CH) | 49.9 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 16.2 |
| 20 (C) | 75.4 |
| 21 (CH3) | 25.4 |
| 22 (CH2) | 40.5 |
| 23 (CH2) | 22.6 |
| 24 (CH) | 124.8 |
| 25 (C) | 131.5 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 16.5 |
