Spektraris NMR
Gentinone C
Common Name: Gentinone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O8/c1-10-18(2)29(39)43-22-17-34(8)20(19-15-21(42-30(19)40)28(38)32(5,6)41)11-12-23(34)35(9)26(37)16-24-31(3,4)25(36)13-14-33(24,7)27(22)35/h12-14,18-22,24,26-28,30,37-38,40-41H,10-11,15-17H2,1-9H3/t18?,19-,20-,21+,22+,24-,26+,27+,28-,30-,33-,34-,35+/m0/s1
InChIKey: InChIKey=YLGZPRJGBIPNIK-SFGZMBCASA-N
Formula: C35H54O8
Molecular Weight: 602.799797
Exact Mass: 602.381869
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) | 158.2 |
| 2 (CH) | 123.6 |
| 3 (C) | 204.4 |
| 4 (C) | 44.3 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 71.2 |
| 8 (C) | 44.3 |
| 9 (CH) | 43.9 |
| 10 (C) | 40.9 |
| 11 (CH) | 70.3 |
| 12 (CH2) | 42.1 |
| 13 (C) | 45.6 |
| 14 (C) | 160.9 |
| 15 (CH) | 120.2 |
| 16 (CH2) | 34.9 |
| 17 (CH) | 52.4 |
| 18 (CH3) | 20 |
| 19 (CH3) | 20.1 |
| 20 (CH) | 43.6 |
| 21 (CH) | 96.2 |
| 22 (CH2) | 30.2 |
| 23 (CH) | 79 |
| 24 (CH) | 75.4 |
| 25 (C) | 74 |
| 26 (CH3) | 26.6 |
| 27 (CH3) | 26.6 |
| 28 (CH3) | 26 |
| 29 (CH3) | 21.5 |
| 30 (CH3) | 30.4 |
| 11a (C) | 176.2 |
| 11b (CH) | 42.1 |
| 11c (CH2) | 26.4 |
| 11d (CH3) | 12.1 |
| 11ab (CH3) | 16.8 |
