(1S,4aalpha)-5-[2-(2,5-Dihydro-2-oxofuran-3-yl)ethyl]decahydro-1,2beta-dihydroxy-5beta,6beta,8aalpha-trimethylnaphthalene-1beta-carboxylic acid methyl ester

(1S,4aalpha)-5-[2-(2,5-Dihydro-2-oxofuran-3-yl)ethyl]decahydro-1,2beta-dihydroxy-5beta,6beta,8aalpha-trimethylnaphthalene-1beta-carboxylic acid methyl ester

Common Name: (1S,4aalpha)-5-[2-(2,5-Dihydro-2-oxofuran-3-yl)ethyl]decahydro-1,2beta-dihydroxy-5beta,6beta,8aalpha-trimethylnaphthalene-1beta-carboxylic acid methyl ester

Synonyms: (1S,4aalpha)-5-[2-(2,5-Dihydro-2-oxofuran-3-yl)ethyl]decahydro-1,2beta-dihydroxy-5beta,6beta,8aalpha-trimethylnaphthalene-1beta-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H32O6/c1-13-7-11-20(3)15(5-6-16(22)21(20,25)18(24)26-4)19(13,2)10-8-14-9-12-27-17(14)23/h9,13,15-16,22,25H,5-8,10-12H2,1-4H3/t13-,15-,16-,19+,20+,21-/m0/s1

InChIKey: InChIKey=WFESWMHXCOYDMS-UHORVAGXSA-N

Formula: C21H32O6

Molecular Weight: 380.475988

Exact Mass: 380.219889

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ragasa, C.Y., Cruz, M.C., Gula, R., Rideout, J.A. J Nat Prod (2000) 63, 509-11

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) 20.7
2 (CH2) 27.9
3 (CH) 72.2
4 (C) 81.3
5 (C) 41.5
6 (CH2) 25.6
7 (CH2) 26.2
8 (CH) 36.5
9 (C) 39.2
10 (CH) 42.3
11 (CH2) 41.5
12 (CH2) 20.8
13 (C) 136.8
14 (CH) 144.3
15 (CH2) 70.1
16 (C) 174.4
17 (CH3) 18
18 (C) 175.6
19 (CH3) 25.3
20 (CH3) 23.1
18a (CH3) 52.8