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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C20H34O4/c1-7-19(5)15(23)10-13-18(4)9-8-14(22)17(2,3)16(18)12(21)11-20(13,6)24-19/h7,12-16,21-23H,1,8-11H2,2-6H3/t12-,13-,14+,15-,16+,18-,19-,20-/m0/s1

InChIKey: InChIKey=BNCHTYMIABXJGV-MELFTEDOSA-N

Formula: C20H34O4

Molecular Weight: 338.482323

Exact Mass: 338.24571

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) 39.5
2 (CH2) 27.4
3 (CH) 79.2
4 (C) 39.6
5 (CH) 56.1
6 (CH) 68.9
7 (CH2) 50.1
8 (C) 76.4
9 (CH) 58.4
10 (C) 36.8
11 (CH2) 25.4
12 (CH) 77.8
13 (C) 75.2
14 (CH) 140.5
15 (CH2) 117.1
16 (CH3) 28.4
17 (CH3) 25.5
18 (CH3) 27.5
19 (CH3) 16.8
20 (CH3) 17.5