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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C24H40O5/c1-16(12-15-28-18(3)25)10-13-22(5)17(2)11-14-23(6)20(22)8-9-21(24(23,7)27)29-19(4)26/h12,17,20-21,27H,8-11,13-15H2,1-7H3/b16-12+/t17-,20-,21-,22+,23-,24+/m1/s1

InChIKey: InChIKey=SYGLVFQUULWVQX-PYMKMDOTSA-N

Formula: C24H40O5

Molecular Weight: 408.572316

Exact Mass: 408.287574

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) 16.7
2 (CH2) 27.4
3 (CH) 76.9
4 (C) 75.5
5 (C) 41.4
6 (CH2) 32.9
7 (CH2) 26.6
8 (CH) 36.7
9 (C) 38.6
10 (CH) 40.3
11 (CH2) 36
12 (CH2) 32
13 (C) 143.1
14 (CH) 117.8
15 (CH2) 61.4
16 (CH3) 16.8
17 (CH3) 15.9
18 (CH3) 21.1
19 (CH3) 16.8
20 (CH3) 18.3
3a (C) 170.1
3b (CH3) 21
15a (C) 171.1
15b (CH3) 21.4