(5R)-5alpha-[2-(2,5-Dihydro-5-hydroxy-2-oxofuran-4-yl)ethyl]-5,6beta,8abeta-trimethyl-3,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1-methanol

(5R)-5alpha-[2-(2,5-Dihydro-5-hydroxy-2-oxofuran-4-yl)ethyl]-5,6beta,8abeta-trimethyl-3,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1-methanol

Common Name: (5R)-5alpha-[2-(2,5-Dihydro-5-hydroxy-2-oxofuran-4-yl)ethyl]-5,6beta,8abeta-trimethyl-3,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1-methanol

Synonyms: (5R)-5alpha-[2-(2,5-Dihydro-5-hydroxy-2-oxofuran-4-yl)ethyl]-5,6beta,8abeta-trimethyl-3,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1-methanol

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-13-7-9-20(3)15(12-21)5-4-6-16(20)19(13,2)10-8-14-11-17(22)24-18(14)23/h5,11,13,16,18,21,23H,4,6-10,12H2,1-3H3/t13-,16-,18?,19+,20+/m0/s1

InChIKey: InChIKey=NGFOJQUEGYTFKQ-NTWFRMKKSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Imamura, P.M., Costa, M. J Nat Prod (2000) 63, 1623-5

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) 17.4
2 (CH2) 27
3 (CH) 136.8
4 (C) 142.3
5 (C) 37.5
6 (CH2) 35.7
7 (CH2) 27.1
8 (CH) 36.3
9 (C) 38.7
10 (CH) 46.5
11 (CH2) 34.8
12 (CH2) 21.2
13 (C) 170.4
14 (CH) 117
15 (C) 171.5
16 (CH) 99.1
17 (CH3) 15.9
18 (CH2) 63.1
19 (CH3) 20.6
20 (CH3) 18.1