(10aR)-3,5,6,6aalpha,7,8,9,10-Octahydro-5alpha,10alpha-dihydroxy-7alpha-[(E)-3-methyl-2,4-pentadienyl]-7,8alpha-dimethyl-1H-2-oxabenzo[d]indene-3-one

(10aR)-3,5,6,6aalpha,7,8,9,10-Octahydro-5alpha,10alpha-dihydroxy-7alpha-[(E)-3-methyl-2,4-pentadienyl]-7,8alpha-dimethyl-1H-2-oxabenzo[d]indene-3-one

Common Name: (10aR)-3,5,6,6aalpha,7,8,9,10-Octahydro-5alpha,10alpha-dihydroxy-7alpha-[(E)-3-methyl-2,4-pentadienyl]-7,8alpha-dimethyl-1H-2-oxabenzo[d]indene-3-one

Synonyms: (10aR)-3,5,6,6aalpha,7,8,9,10-Octahydro-5alpha,10alpha-dihydroxy-7alpha-[(E)-3-methyl-2,4-pentadienyl]-7,8alpha-dimethyl-1H-2-oxabenzo[d]indene-3-one

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-5-12(2)6-7-19(4)13(3)8-17(22)20-11-24-18(23)15(20)9-14(21)10-16(19)20/h5-6,9,13-14,16-17,21-22H,1,7-8,10-11H2,2-4H3/b12-6+/t13-,14+,16+,17+,19-,20+/m1/s1

InChIKey: InChIKey=DJDBWLSEAODUBJ-KGAGHKNZSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Beutler, J.A., McCall, K.L., Herbert, K., Herald, D.L., Pettit, G.R., Johnson, T., Shoemaker, R.H., Boyd, M.R. J Nat Prod (2000) 63, 657-61

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) 30.3
2 (CH) 64.4
3 (CH) 135.6
4 (C) 137.4
5 (C) 48.9
6 (CH) 73.1
7 (CH2) 37
8 (CH) 37.3
9 (C) 39.1
10 (CH) 41.3
11 (CH2) 32.4
12 (CH) 129.8
13 (C) 137.3
14 (CH) 142.6
15 (CH2) 111.1
16 (CH3) 12.3
17 (CH3) 15.9
18 (C) 173.2
19 (CH2) 74.9
20 (CH3) 25.3