2a-Acetoxysugiol, (3S,4aS,10aS)-1,2,3,4,4a,9,10,10aoctahydro-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-9-oxophenanthren-3-yl acetate

2a-Acetoxysugiol, (3S,4aS,10aS)-1,2,3,4,4a,9,10,10aoctahydro-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-9-oxophenanthren-3-yl acetate

Common Name: 2a-Acetoxysugiol, (3S,4aS,10aS)-1,2,3,4,4a,9,10,10aoctahydro-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-9-oxophenanthren-3-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O4/c1-12(2)15-7-16-17(8-18(15)24)22(6)11-14(26-13(3)23)10-21(4,5)20(22)9-19(16)25/h7-8,12,14,20,24H,9-11H2,1-6H3/t14-,20-,22+/m0/s1

InChIKey: InChIKey=LVRUFBJYFAGDRK-PRPYNDMISA-N

Formula: C22H30O4

Molecular Weight: 358.472032

Exact Mass: 358.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Don, M.J., Shen, C.C., Syu, W.J., Ding, Y.H., Sun, C.M. Phytochemistry (2006) 67, 497-503

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) 42.8
2 (CH) 68.7
3 (CH2) 46.2
4 (C) 34.6
5 (CH) 48.9
6 (CH2) 35.6
7 (C) 198.4
8 (C) 123.5
9 (C) 155
10 (C) 39.3
11 (CH) 109.5
12 (C) 159.5
13 (C) 133.7
14 (CH) 126.9
15 (CH) 26.7
16 (CH3) 22.1
17 (CH3) 22.4
18 (CH3) 32.4
19 (CH3) 22
20 (CH3) 23.9
2a (C) 171.1
2b (CH3) 21.4