Spektraris NMR
Gentinone D
Common Name: Gentinone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H56O9/c1-11-19(2)31(41)46-24-18-36(9)22(21-16-23(45-32(21)42)30(40)34(6,7)43)12-13-25(36)37(10)28(44-20(3)38)17-26-33(4,5)27(39)14-15-35(26,8)29(24)37/h13-15,19,21-24,26,28-30,32,40,42-43H,11-12,16-18H2,1-10H3/t19?,21-,22-,23+,24+,26-,28+,29+,30-,32-,35-,36-,37+/m0/s1
InChIKey: InChIKey=NHTZOYNDHCDCAM-ROVINMHMSA-N
Formula: C37H56O9
Molecular Weight: 644.836555
Exact Mass: 644.392433
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Omobuwajo O, Martín MT, Perromat G, Sevenet T, Païs M J Nat Prod (1996) 59, 614
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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) | 157.6 |
| 2 (CH) | 123.1 |
| 3 (C) | 203.4 |
| 4 (C) | 43.8 |
| 5 (CH) | 45.4 |
| 6 (CH2) | 23.1 |
| 7 (CH) | 73.5 |
| 8 (C) | 45.2 |
| 9 (CH) | 44.5 |
| 10 (C) | 40.2 |
| 11 (CH) | 69.8 |
| 12 (CH2) | 42.1 |
| 13 (C) | 45.9 |
| 14 (C) | 158.1 |
| 15 (CH) | 118.5 |
| 16 (CH2) | 34.5 |
| 17 (CH) | 51.9 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 19.9 |
| 20 (CH) | 44.2 |
| 21 (CH) | 95.9 |
| 22 (CH2) | 29.8 |
| 23 (CH) | 78.3 |
| 24 (CH) | 76.6 |
| 25 (C) | 76.2 |
| 26 (CH3) | 26 |
| 27 (CH3) | 26 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 21 |
| 30 (CH3) | 29.6 |
| 7a (C) | 169.2 |
| 7b (CH3) | 20.8 |
| 11a (C) | 175.4 |
| 11b (CH) | 41.8 |
| 11c (CH2) | 25.9 |
| 11d (CH3) | 11.7 |
| 11ab (CH3) | 16.5 |
