(3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one

(3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one

Common Name: (3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one

Synonyms: (3R,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-[(2S)-oxiran-2-yl]-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-17(2)13-6-10-19(4)14(18(13,3)9-8-15(17)21)7-11-20(5,23-19)16-12-22-16/h13-14,16H,6-12H2,1-5H3/t13-,14+,16+,18-,19+,20-/m1/s1

InChIKey: InChIKey=NQXNNCAQMVIHBL-AZUSZAEESA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Anjaneyulu, A.S., Rao, V.L. Phytochemistry (2000) 55, 891-901

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) 37.9
2 (CH2) 33.7
3 (C) 216.9
4 (C) 47.3
5 (CH) 54.7
6 (CH2) 20.8
7 (CH2) 42
8 (C) 74
9 (CH) 56.5
10 (C) 36.4
11 (CH2) 16.8
12 (CH2) 31
13 (C) 71.5
14 (CH) 57.5
15 (CH2) 47.2
16 (CH3) 29.1
17 (CH3) 23.5
18 (CH3) 26.7
19 (CH3) 20.9
20 (CH3) 15.2