(3S,4E,6S,9E,13Z)-3,9,13-Trimethyl-3-hydroxy-6-isopropylcyclotetradeca-4,9,13-triene-1-one

(3S,4E,6S,9E,13Z)-3,9,13-Trimethyl-3-hydroxy-6-isopropylcyclotetradeca-4,9,13-triene-1-one

Common Name: (3S,4E,6S,9E,13Z)-3,9,13-Trimethyl-3-hydroxy-6-isopropylcyclotetradeca-4,9,13-triene-1-one

Synonyms: (3S,4E,6S,9E,13Z)-3,9,13-Trimethyl-3-hydroxy-6-isopropylcyclotetradeca-4,9,13-triene-1-one

CAS Registry Number:

InChI: InChI=1S/C20H32O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18,22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13-/t18-,20-/m1/s1

InChIKey: InChIKey=NADZCBHRMMBZFH-REXGYXJXSA-N

Formula: C20H32O2

Molecular Weight: 304.467632

Exact Mass: 304.24023

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - El Sayed, K.A., Laphookhieo, S., Yousaf, M., Prestridge, J.A., Shirode, A.B., Wali, V.B., Sylvester, P.W. J Nat Prod (2008) 71, 117-22

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) 46.9
2 (CH) 131.2
3 (CH) 136.1
4 (C) 72.6
5 (CH2) 54.1
6 (C) 202.2
7 (CH) 126.5
8 (C) 160.3
9 (CH2) 31.5
10 (CH2) 25.7
11 (CH) 123.5
12 (C) 134.7
13 (CH2) 36.2
14 (CH2) 29
15 (CH) 32.2
16 (CH3) 20
17 (CH3) 20.2
18 (CH3) 30
19 (CH3) 25
20 (CH3) 15