3alpha-Ethenyl-3,4aalpha,7,7,10aalpha-pentamethyl-6alpha,8alpha-dihydroxy-4a,5,6,6abeta,7,8,9,10,10a,10bbeta-decahydro-1H-naphtho[2,1-b]pyran-2(3H)-one

3alpha-Ethenyl-3,4aalpha,7,7,10aalpha-pentamethyl-6alpha,8alpha-dihydroxy-4a,5,6,6abeta,7,8,9,10,10a,10bbeta-decahydro-1H-naphtho[2,1-b]pyran-2(3H)-one

Common Name: 3alpha-Ethenyl-3,4aalpha,7,7,10aalpha-pentamethyl-6alpha,8alpha-dihydroxy-4a,5,6,6abeta,7,8,9,10,10a,10bbeta-decahydro-1H-naphtho[2,1-b]pyran-2(3H)-one

Synonyms: 3alpha-Ethenyl-3,4aalpha,7,7,10aalpha-pentamethyl-6alpha,8alpha-dihydroxy-4a,5,6,6abeta,7,8,9,10,10a,10bbeta-decahydro-1H-naphtho[2,1-b]pyran-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C20H32O4/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/h7,12-14,16,21-22H,1,8-11H2,2-6H3/t12-,13-,14+,16+,18-,19-,20-/m0/s1

InChIKey: InChIKey=KIWITCIVFRNJAB-CGMZXVORSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

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) 38.9
2 (CH2) 27.1
3 (CH) 78.9
4 (C) 39.5
5 (CH) 55.6
6 (CH) 68.4
7 (CH2) 49.8
8 (C) 74.7
9 (CH) 55
10 (C) 36.1
11 (CH2) 33.6
12 (C) 211.5
13 (C) 81.7
14 (CH) 142.3
15 (CH2) 113.2
16 (CH3) 28.7
17 (CH3) 23.5
18 (CH3) 21.7
19 (CH3) 16.9
20 (CH3) 16