t-Cajucarin B

t-Cajucarin B

Common Name: t-Cajucarin B

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O4/c1-13-10-16(21)11-18-17(13)5-4-14(2)20(18,19(22)23-3)8-6-15-7-9-24-12-15/h7,9-10,12,14,17-18H,4-6,8,11H2,1-3H3/t14-,17+,18+,20-/m1/s1

InChIKey: InChIKey=YIQWACJXRWSNLU-QBMUGXQSSA-N

Formula: C20H26O4

Molecular Weight: 330.418797

Exact Mass: 330.183109

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Maciel, M.A.M., Pinto, A.C., Brabo, S.N., Da Silva, M.N. Phytochemistry (1998) 49, 823-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 39.64
2 (C) 199.32
3 (CH) 127.15
4 (C) 166.71
5 (CH) 40.63
6 (CH2) 29.43
7 (CH2) 31.15
8 (CH) 35.66
9 (C) 52.94
10 (CH) 43.41
11 (CH2) 31.51
12 (CH2) 18.77
13 (C) 124.97
14 (CH) 111.38
15 (CH) 143.48
16 (CH) 139.25
17 (CH3) 17.67
18 (CH3) 22.5
20 (C) 174.95
20a (CH3) 51.69