(3S,4aS,7S,10aS)-3,7-Bis(hydroxymethyl)-4a,7,10a-trimethyl-3-vinyldodecahydro-6H-benzo[f]chromen-6-one

(3S,4aS,7S,10aS)-3,7-Bis(hydroxymethyl)-4a,7,10a-trimethyl-3-vinyldodecahydro-6H-benzo[f]chromen-6-one

Common Name: (3S,4aS,7S,10aS)-3,7-Bis(hydroxymethyl)-4a,7,10a-trimethyl-3-vinyldodecahydro-6H-benzo[f]chromen-6-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-5-20(13-22)10-7-15-18(3)9-6-8-17(2,12-21)16(18)14(23)11-19(15,4)24-20/h5,15-16,21-22H,1,6-13H2,2-4H3/t15-,16+,17+,18-,19-,20+/m0/s1

InChIKey: InChIKey=YVEIXWWAWGTTOE-JBKQDOAHSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Gutierrez, J.J., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1997) 45, 283-91

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) 38.5
2 (CH2) 17.2
3 (CH2) 35.6
4 (C) 36.6
5 (CH) 60.7
6 (C) 209.8
7 (CH2) 59.9
8 (C) 76.4
9 (CH) 52.4
10 (C) 39.9
11 (CH2) 14.8
12 (CH2) 26.4
13 (C) 77.3
14 (CH) 143
15 (CH2) 114.3
16 (CH2) 68.2
17 (CH3) 26.2
18 (CH2) 71.2
19 (CH3) 17.5
20 (CH3) 16.3