Spektraris NMR
Dolichorrhizin
Common Name: Dolichorrhizin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O3/c1-20(33)35-26-19-22-21(28(4,5)34)13-17-29(22,6)25-12-11-24-30(7)16-10-15-27(2,3)23(30)14-18-31(24,8)32(25,26)9/h21-26,34H,10-19H2,1-9H3/t21-,22-,23-,24+,25+,26-,29-,30-,31+,32-/m0/s1
InChIKey: InChIKey=RABGCIVYLSICGM-OSGMSVDOSA-N
Formula: C32H54O3
Molecular Weight: 486.770564
Exact Mass: 486.407296
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A.L., Ronaldson K.J., Jager P.M., Bird P.W. Aust J Chem (1987) 40, 1713
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 40.4 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42 |
| 4 (C) | 33.1 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 19 |
| 7 (CH2) | 35 |
| 8 (C) | 43.3 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.5 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 23.8 |
| 13 (CH) | 49 |
| 14 (C) | 45.9 |
| 15 (CH) | 76.9 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 50.1 |
| 18 (C) | 44 |
| 19 (CH2) | 40.8 |
| 20 (CH2) | 26.9 |
| 21 (CH) | 50.4 |
| 22 (C) | 73.6 |
| 23 (CH3) | 33.4 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 12.9 |
| 28 (CH3) | 15.8 |
| 29 (CH3) | 28.5 |
| 30 (CH3) | 31 |
| 15a (C) | 170.5 |
| 15b (CH3) | 22 |
