(1S,4aalpha)-5alpha-[2-[(Tetrahydrofuran)-3-yl]ethyl]-5,6beta,8abeta-trimethyldecahydronaphthalene-1beta-carboxylic acid methyl ester

(1S,4aalpha)-5alpha-[2-[(Tetrahydrofuran)-3-yl]ethyl]-5,6beta,8abeta-trimethyldecahydronaphthalene-1beta-carboxylic acid methyl ester

Common Name: (1S,4aalpha)-5alpha-[2-[(Tetrahydrofuran)-3-yl]ethyl]-5,6beta,8abeta-trimethyldecahydronaphthalene-1beta-carboxylic acid methyl ester

Synonyms: (1S,4aalpha)-5alpha-[2-[(Tetrahydrofuran)-3-yl]ethyl]-5,6beta,8abeta-trimethyldecahydronaphthalene-1beta-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H36O3/c1-15-8-11-21(3)17(19(22)23-4)6-5-7-18(21)20(15,2)12-9-16-10-13-24-14-16/h15-18H,5-14H2,1-4H3/t15-,16?,17+,18-,20+,21+/m0/s1

InChIKey: InChIKey=AXICVMUBKZYGRL-BJQQWNLOSA-N

Formula: C21H36O3

Molecular Weight: 336.509536

Exact Mass: 336.266445

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Costa, M., Perles, E.C., Fujiwara, F.Y., Imamura, P.M. Phytochemistry (2000) 53, 851-4

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) 21.5
2 (CH2) 26.5
3 (CH2) 25
4 (CH) 57.6
5 (C) 37.4
6 (CH2) 39.9
7 (CH2) 27.2
8 (CH) 36.6
9 (C) 38.8
10 (CH) 49.3
11 (CH2) 37.1
12 (CH2) 26.2
13 (CH) 40.1
14 (CH2) 32.8
15 (CH2) 68.1
16 (CH2) 73.8
17 (CH3) 16
18 (C) 175.3
19 (CH3) 14.8
20 (CH3) 18.2
18a (CH3) 51