(4abeta)-1,5alpha,6alpha,8aalpha-Tetramethyl-5-[3-(1,2-dihydroxyethyl)-3-butenyl]decalin-1beta,2alpha-diol

(4abeta)-1,5alpha,6alpha,8aalpha-Tetramethyl-5-[3-(1,2-dihydroxyethyl)-3-butenyl]decalin-1beta,2alpha-diol

Common Name: (4abeta)-1,5alpha,6alpha,8aalpha-Tetramethyl-5-[3-(1,2-dihydroxyethyl)-3-butenyl]decalin-1beta,2alpha-diol

Synonyms: (4abeta)-1,5alpha,6alpha,8aalpha-Tetramethyl-5-[3-(1,2-dihydroxyethyl)-3-butenyl]decalin-1beta,2alpha-diol

CAS Registry Number:

InChI: InChI=1S/C20H36O4/c1-13(15(22)12-21)8-10-18(3)14(2)9-11-19(4)16(18)6-7-17(23)20(19,5)24/h14-17,21-24H,1,6-12H2,2-5H3/t14-,15?,16-,17-,18+,19-,20+/m1/s1

InChIKey: InChIKey=LSKHIBVYFGKXGG-BNNISVCKSA-N

Formula: C20H36O4

Molecular Weight: 340.498205

Exact Mass: 340.26136

NMR Solvent: CD3OD

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) 17.64
2 (CH2) 31.1
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) 39.8
10 (CH) 41.8
11 (CH2) 38.97
12 (CH2) 26.85
13 (C) 151.8
14 (CH) 76.8
15 (CH2) 66.6
16 (CH2) 110.64
17 (CH3) 16.5
18 (CH3) 21.2
19 (CH3) 17.9
20 (CH3) 18.9