1,2,3,3aalpha,4,5,5a,6,7,8,9,10,10aalpha,10b-Tetradecahydro-8-methylene-5abeta,10bbeta-dimethyl-3beta-isopropenylcyclohepta[e]indene-7alpha-ol

1,2,3,3aalpha,4,5,5a,6,7,8,9,10,10aalpha,10b-Tetradecahydro-8-methylene-5abeta,10bbeta-dimethyl-3beta-isopropenylcyclohepta[e]indene-7alpha-ol

Common Name: 1,2,3,3aalpha,4,5,5a,6,7,8,9,10,10aalpha,10b-Tetradecahydro-8-methylene-5abeta,10bbeta-dimethyl-3beta-isopropenylcyclohepta[e]indene-7alpha-ol

Synonyms: 1,2,3,3aalpha,4,5,5a,6,7,8,9,10,10aalpha,10b-Tetradecahydro-8-methylene-5abeta,10bbeta-dimethyl-3beta-isopropenylcyclohepta[e]indene-7alpha-ol

CAS Registry Number:

InChI: InChI=1S/C20H32O/c1-13(2)15-8-11-20(5)16(15)9-10-19(4)12-17(21)14(3)6-7-18(19)20/h15-18,21H,1,3,6-12H2,2,4-5H3/t15-,16+,17-,18+,19+,20+/m0/s1

InChIKey: InChIKey=GCMRRPGBCMUUSN-XYWBXWKWSA-N

Formula: C20H32O1

Molecular Weight: 288.468227

Exact Mass: 288.245316

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Alonso, C., Oliva, I.M., Garrido, N.M., Martin, D.D., Lithgow, A.M. Phytochemistry (1993) 34, 747-50

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Valparanes; 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) 53.7
2 (CH) 71.9
3 (C) 155.2
4 (CH2) 32.8
5 (CH2) 28.5
6 (CH) 60.7
7 (C) 46.9
8 (CH) 55.2
9 (CH2) 21.6
10 (CH2) 45.9
11 (C) 36.1
12 (CH2) 41.8
13 (CH2) 27.2
14 (CH) 46.5
15 (C) 148.5
16 (CH2) 110.3
17 (CH3) 25
18 (CH3) 16
19 (CH2) 112.3
20 (CH3) 20.1