1-[(1R,8aS)-2-(Acetoxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-3,4-anhydro-1,2-dideoxy-3-methylpentitol

1-[(1R,8aS)-2-(Acetoxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-3,4-anhydro-1,2-dideoxy-3-methylpentitol

Common Name: 1-[(1R,8aS)-2-(Acetoxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-3,4-anhydro-1,2-dideoxy-3-methylpentitol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-15(24)25-14-16-7-8-18-20(2,3)10-6-11-21(18,4)17(16)9-12-22(5)19(13-23)26-22/h7,17-19,23H,6,8-14H2,1-5H3/t17-,18-,19-,21+,22-/m0/s1

InChIKey: InChIKey=IZYVRTVRSAVBRR-WODKUCBQSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

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) 42.2
4 (C) 33
5 (CH) 49.8
6 (CH2) 23.9
7 (CH) 129.4
8 (C) 133.8
9 (CH) 52.4
10 (C) 37
11 (CH2) 21.7
12 (CH2) 40.3
13 (C) 61.2
14 (CH) 62.9
15 (CH2) 61.2
16 (CH3) 16.9
17 (CH2) 67.9
18 (CH3) 33
19 (CH3) 21.8
20 (CH3) 13.8
17a (C) 170.9
17b (CH3) 21.1