Gentinine

Gentinine

Common Name: Gentinine

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H54O9/c1-10-18(2)29(39)43-22-17-34(8)20(19-15-21(42-30(19)40)28(38)31(3,4)41)11-12-23(34)35(9)25(36)16-24-32(5,6)44-26(37)13-14-33(24,7)27(22)35/h12-14,18-22,24-25,27-28,30,36,38,40-41H,10-11,15-17H2,1-9H3/t18?,19-,20-,21+,22+,24-,25+,27+,28-,30-,33-,34-,35+/m0/s1

InChIKey: InChIKey=LLBVFDQQUMCWRC-HQMUYUACSA-N

Formula: C35H54O9

Molecular Weight: 618.799201

Exact Mass: 618.376783

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) 153.2
2 (CH) 116.9
3 (C) 167.8
4 (C) 84.8
5 (CH) 47.3
6 (CH2) 27.7
7 (CH) 71.4
8 (C) 44.3
9 (CH) 46.1
10 (C) 45.4
11 (CH) 70.1
12 (CH2) 42.6
13 (C) 45.8
14 (C) 160.6
15 (CH) 120.8
16 (CH2) 35.2
17 (CH) 52.8
18 (CH3) 20.5
19 (CH3) 18.9
20 (CH) 44.8
21 (CH) 96.5
22 (CH2) 30.5
23 (CH) 79.1
24 (CH) 75.2
25 (C) 74.4
26 (CH3) 27
27 (CH3) 27
28 (CH3) 25.6
29 (CH3) 32.2
30 (CH3) 30
11a (C) 176.3
11b (CH) 42
11c (CH2) 26.4
11d (CH3) 12.4
11ab (CH3) 17.3