(3E,7S,11Z)-7-hydroxy-3,11,15-cembratrien-20,28-olide

(3E,7S,11Z)-7-hydroxy-3,11,15-cembratrien-20,28-olide

Common Name: (3E,7S,11Z)-7-hydroxy-3,11,15-cembratrien-20,28-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,16,18,21H,1,5,8-13H2,2-4H3/b15-7+/t16?,18-,20-/m0/s1

InChIKey: InChIKey=MAFNJZZUTPINDH-HKEZNGQISA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marville, K.I., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (2003) 66, 1284-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) 46.6
2 (CH2) 32.8
3 (CH) 126.2
4 (C) 134.3
5 (CH2) 33.9
6 (CH2) 29.8
7 (CH) 67.6
8 (C) 83
9 (CH2) 35
10 (CH2) 27.2
11 (CH) 140.1
12 (C) 133.5
13 (CH2) 34.8
14 (CH2) 28.4
15 (C) 148.7
16 (CH2) 110.7
17 (CH3) 18.6
18 (CH3) 16.9
19 (CH3) 22.4
20 (C) 167.1