[(1R,2R,4aalpha,5'E)-2alpha,5,5,8abeta-Tetramethyl-4beta-acetoxy-4',5'-dihydrospiro[decalin-1,2'(3'H)-furan]-5'-ylidene]acetaldehyde

[(1R,2R,4aalpha,5'E)-2alpha,5,5,8abeta-Tetramethyl-4beta-acetoxy-4',5'-dihydrospiro[decalin-1,2'(3'H)-furan]-5'-ylidene]acetaldehyde

Common Name: [(1R,2R,4aalpha,5'E)-2alpha,5,5,8abeta-Tetramethyl-4beta-acetoxy-4',5'-dihydrospiro[decalin-1,2'(3'H)-furan]-5'-ylidene]acetaldehyde

Synonyms: [(1R,2R,4aalpha,5'E)-2alpha,5,5,8abeta-Tetramethyl-4beta-acetoxy-4',5'-dihydrospiro[decalin-1,2'(3'H)-furan]-5'-ylidene]acetaldehyde

CAS Registry Number:

InChI: InChI=1S/C21H32O4/c1-14-13-17(24-15(2)23)18-19(3,4)9-6-10-20(18,5)21(14)11-7-16(25-21)8-12-22/h8,12,14,17-18H,6-7,9-11,13H2,1-5H3/b16-8+/t14-,17-,18+,20+,21-/m1/s1

InChIKey: InChIKey=DTODGYVUKUZPTH-FWVSRRSQSA-N

Formula: C21H32O4

Molecular Weight: 348.477178

Exact Mass: 348.23006

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Kiuchi, F., Matsuo, K., Ito, M., Qui, T.K., Honda, G. Chem Pharm Bull (2004) 52, 1492-4

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) 32.9
2 (CH2) 18.6
3 (CH2) 43.6
4 (C) 34.1
5 (CH) 48.8
6 (CH) 69.4
7 (CH2) 36.5
8 (CH) 32
9 (C) 98.2
10 (C) 42.8
11 (CH2) 25.8
12 (CH2) 30.1
13 (C) 180.1
14 (CH) 100.6
15 (CH) 188.8
17 (CH3) 15.3
18 (CH3) 33.1
19 (CH3) 23.7
20 (CH3) 19.3
6a (C) 169.2
6b (CH3) 21.3