Spektraris NMR
octanordammar-1,11,13(17)-trien-17-ol-3,16-dione
Common Name: octanordammar-1,11,13(17)-trien-17-ol-3,16-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O3/c1-19(2)15-8-11-21(4)16(20(15,3)10-9-17(19)24)7-6-13-18(25)14(23)12-22(13,21)5/h6-7,9-10,15-16,25H,8,11-12H2,1-5H3/t15-,16+,20-,21+,22+/m0/s1
InChIKey: InChIKey=FNZOZDSSFOCSNG-NYURKCDNSA-N
Formula: C22H28O3
Molecular Weight: 340.456746
Exact Mass: 340.203845
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhang, F., Fu, T.J., Peng, S.L., Liu, Z.R., Ding, L.S. J Integr Plant Biol (2005) 47, 251
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 (CH) | 159.5 |
| 2 (CH) | 125.4 |
| 3 (C) | 204.3 |
| 4 (C) | 44.8 |
| 5 (CH) | 53.1 |
| 6 (CH2) | 19 |
| 7 (CH2) | 32.4 |
| 8 (C) | 40.4 |
| 9 (CH) | 49.2 |
| 10 (C) | 39.3 |
| 11 (CH) | 132.9 |
| 12 (CH) | 122.1 |
| 13 (C) | 145.9 |
| 14 (C) | 43.8 |
| 15 (CH2) | 42.5 |
| 16 (C) | 201.5 |
| 17 (C) | 146.2 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 21.5 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 24.5 |
