5-epi-Vibsanin E

5-epi-Vibsanin E

Common Name: 5-epi-Vibsanin E

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O5/c1-15(2)11-22(27)29-10-8-21-17(12-16(3)26)23(28)19-14-30-24(4,5)20-7-9-25(21,6)13-18(19)20/h8,10-11,17-21H,7,9,12-14H2,1-6H3/b10-8+/t17-,18-,19-,20?,21+,25+/m1/s1

InChIKey: InChIKey=FXXKPLFBIHAEOU-LNXULZSMSA-N

Formula: C25H36O5

Molecular Weight: 416.551289

Exact Mass: 416.256274

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Fukuyama, Y., Minami, H., Matsuo, A., Kitamura, K., Akizuki, M., Kubo, M., Kodama, M. Chem Pharm Bull (2002) 50, 368-71

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vibsanes; 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) 38.3
2 (CH) 29.1
3 (CH) 53.6
4 (C) 212.6
5 (CH) 48.5
6 (CH2) 45.3
7 (C) 205.6
8 (CH) 137.7
9 (CH) 111.8
10 (CH) 50.7
11 (C) 33.9
12 (CH2) 38.9
13 (CH2) 25.2
14 (CH) 40.8
15 (C) 73.6
16 (CH3) 24.8
17 (CH3) 26.6
18 (CH2) 64
19 (CH3) 29.8
20 (CH3) 34
8a (C) 163.3
8b (CH) 115.1
8c (C) 160
8d (CH3) 27
8ca (CH3) 20.3