(6abeta,10bbeta)-3alpha-Ethenyl-3,4aalpha,7,7,10aalpha-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran-2alpha,8alpha-diol 8-acetate

(6abeta,10bbeta)-3alpha-Ethenyl-3,4aalpha,7,7,10aalpha-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran-2alpha,8alpha-diol 8-acetate

Common Name: (6abeta,10bbeta)-3alpha-Ethenyl-3,4aalpha,7,7,10aalpha-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran-2alpha,8alpha-diol 8-acetate

Synonyms: (6abeta,10bbeta)-3alpha-Ethenyl-3,4aalpha,7,7,10aalpha-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran-2alpha,8alpha-diol 8-acetate

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-8-21(6)17(24)13-16-20(5)11-10-18(25-14(2)23)19(3,4)15(20)9-12-22(16,7)26-21/h8,15-18,24H,1,9-13H2,2-7H3/t15-,16+,17+,18-,20-,21+,22+/m1/s1

InChIKey: InChIKey=RQAKPAGNCKWNAV-QKYFFWMQSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Jimenez, M.B., Martinez, A., Parra, A., Rivas, F., Arias, J.M. Phytochemistry (1994) 37, 741-7

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) 37.3
2 (CH2) 23.6
3 (CH) 80.7
4 (C) 37.8
5 (CH) 55.2
6 (CH2) 19.5
7 (CH2) 42.2
8 (C) 76.4
9 (CH) 57.5
10 (C) 36.6
11 (CH2) 25.3
12 (CH) 71.5
13 (C) 75.7
14 (CH) 140.4
15 (CH2) 117.2
16 (CH3) 28
17 (CH3) 25.5
18 (CH3) 28
19 (CH3) 16.2
20 (CH3) 16.3
3a (C) 171.1
3b (CH3) 21.4