{(1R,8aS)-1-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl}methyl acetate

{(1R,8aS)-1-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl}methyl acetate

Common Name: {(1R,8aS)-1-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl}methyl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O3/c1-16(11-14-23)7-9-19-18(15-25-17(2)24)8-10-20-21(3,4)12-6-13-22(19,20)5/h8,11,19-20,23H,6-7,9-10,12-15H2,1-5H3/b16-11+/t19-,20-,22+/m0/s1

InChIKey: InChIKey=XZYGTZXVBMEZET-MCCFNFQJSA-N

Formula: C22H36O3

Molecular Weight: 348.520272

Exact Mass: 348.266445

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Diez, D., Garrido, N.M., Alonso, C., Oliva, I.M., Lithgow, A.M., Moro, R.F., Sexmero, M.J., Lopez, C. Phytochemistry (1994) 35, 713-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 39.1
2 (CH2) 18.8
3 (CH2) 42.3
4 (C) 33
5 (CH) 49.8
6 (CH2) 23.9
7 (CH) 129
8 (C) 134.1
9 (CH) 52.1
10 (C) 36.9
11 (CH2) 25.1
12 (CH2) 41.2
13 (C) 139.7
14 (CH) 123.9
15 (CH2) 59.3
16 (CH3) 16.3
17 (CH2) 67.7
18 (CH3) 33
19 (CH3) 21.8
20 (CH3) 13.8
17a (C) 170.8
17b (CH3) 21.1