(3aR)-2-Acetyl-3abeta,4beta-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene-5beta,7abeta-diol 5-acetate

(3aR)-2-Acetyl-3abeta,4beta-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene-5beta,7abeta-diol 5-acetate

Common Name: (3aR)-2-Acetyl-3abeta,4beta-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene-5beta,7abeta-diol 5-acetate

Synonyms: (3aR)-2-Acetyl-3abeta,4beta-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene-5beta,7abeta-diol 5-acetate

CAS Registry Number:

InChI: InChI=1S/C15H22O4/c1-9-13(19-11(3)17)5-6-15(18)8-12(10(2)16)7-14(9,15)4/h7,9,13,18H,5-6,8H2,1-4H3/t9-,13-,14+,15-/m0/s1

InChIKey: InChIKey=UVZCTIXFJHDDJL-JVOAXRGISA-N

Formula: C15H22O4

Molecular Weight: 266.333355

Exact Mass: 266.151809

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Deng, M., Dong, W., Jiao, W., Lu, R. Helv Chim Acta (2009) 92, 495-501

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Fukinanes; 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) 28.1
2 (CH2) 27
3 (CH) 72.6
4 (CH) 41.6
5 (C) 55.2
6 (CH) 152.3
7 (C) 141.5
9 (CH2) 41.6
10 (C) 81.2
11 (C) 197.2
12 (CH3) 26.2
13 (CH3) 13
14 (CH3) 13.3
3a (C) 170.5
3b (CH3) 21