(4abeta)-1,5alpha,6alpha,8aalpha-Tetramethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]decalin-1beta,2alpha-diol

(4abeta)-1,5alpha,6alpha,8aalpha-Tetramethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]decalin-1beta,2alpha-diol

Common Name: (4abeta)-1,5alpha,6alpha,8aalpha-Tetramethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]decalin-1beta,2alpha-diol

Synonyms: (4abeta)-1,5alpha,6alpha,8aalpha-Tetramethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]decalin-1beta,2alpha-diol

CAS Registry Number:

InChI: InChI=1S/C20H36O3/c1-14(10-13-21)8-11-18(3)15(2)9-12-19(4)16(18)6-7-17(22)20(19,5)23/h10,15-17,21-23H,6-9,11-13H2,1-5H3/b14-10+/t15-,16-,17-,18+,19-,20+/m1/s1

InChIKey: InChIKey=GYMUIJYRKZPTKP-GMVHPELISA-N

Formula: C20H36O3

Molecular Weight: 324.4988

Exact Mass: 324.266445

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yang, S.M., Wu, S.H., Qin, X.D., Luo, X.D., Wu, D.G. Helv Chim Acta (2004) 87, 1279-86

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 17.7
2 (CH2) 31
3 (CH) 77
4 (C) 77.4
5 (C) 42.6
6 (CH2) 33.6
7 (CH2) 27.9
8 (CH) 37.4
9 (C) 39.7
10 (CH) 41.8
11 (CH2) 38.5
12 (CH2) 34.2
13 (C) 140.9
14 (CH) 124.3
15 (CH2) 59.5
16 (CH3) 16.5
17 (CH3) 16.4
18 (CH3) 21.2
19 (CH3) 17.9
20 (CH3) 18.9