(1S)-1beta-Isopropenyl-3abeta,5,8aalpha-trimethyl-1,2,3,3a,4,6,7,8,8a,9,10,10aalpha-dodecahydrobenzo[f]azulene-8alpha-ol

(1S)-1beta-Isopropenyl-3abeta,5,8aalpha-trimethyl-1,2,3,3a,4,6,7,8,8a,9,10,10aalpha-dodecahydrobenzo[f]azulene-8alpha-ol

Common Name: (1S)-1beta-Isopropenyl-3abeta,5,8aalpha-trimethyl-1,2,3,3a,4,6,7,8,8a,9,10,10aalpha-dodecahydrobenzo[f]azulene-8alpha-ol

Synonyms: (1S)-1beta-Isopropenyl-3abeta,5,8aalpha-trimethyl-1,2,3,3a,4,6,7,8,8a,9,10,10aalpha-dodecahydrobenzo[f]azulene-8alpha-ol

CAS Registry Number:

InChI: InChI=1S/C20H32O/c1-13(2)15-8-10-19(4)12-17-14(3)6-7-18(21)20(17,5)11-9-16(15)19/h15-16,18,21H,1,6-12H2,2-5H3/t15-,16+,18+,19-,20+/m1/s1

InChIKey: InChIKey=JGIYJHKDKOUXGI-QVHQYWGISA-N

Formula: C20H32O1

Molecular Weight: 288.468227

Exact Mass: 288.245316

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ioannou, E., Quesada, A., Vagias, C., Roussis, V. Tetrahedron (2008) 64, 3975_79

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolastanes; 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 (C) 128
2 (CH2) 29.9
3 (CH2) 26.7
4 (CH) 72.3
5 (C) 43.2
6 (CH2) 39.1
7 (CH2) 21.7
8 (CH) 57.9
9 (CH) 48.4
10 (CH2) 29.2
11 (CH2) 41.6
12 (C) 45.3
13 (CH2) 40.2
14 (C) 134
15 (CH3) 21.2
16 (CH3) 23.5
17 (C) 148.7
18 (CH2) 111.1
19 (CH3) 24.3
20 (CH3) 18.6