(1S)-1,5,6alpha-Trimethyl-5beta-[(3R)-3-methyl-3-hydroxy-4-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carboxylic acid methyl ester

(1S)-1,5,6alpha-Trimethyl-5beta-[(3R)-3-methyl-3-hydroxy-4-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carboxylic acid methyl ester

Common Name: (1S)-1,5,6alpha-Trimethyl-5beta-[(3R)-3-methyl-3-hydroxy-4-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carboxylic acid methyl ester

Synonyms: (1S)-1,5,6alpha-Trimethyl-5beta-[(3R)-3-methyl-3-hydroxy-4-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H34O3/c1-7-19(3,23)13-14-20(4)15(2)10-11-17-16(20)9-8-12-21(17,5)18(22)24-6/h7,9,15,17,23H,1,8,10-14H2,2-6H3/t15-,17+,19+,20+,21+/m1/s1

InChIKey: InChIKey=FKEHBVIANKGSMS-ONKRVSLGSA-N

Formula: C21H34O3

Molecular Weight: 334.493654

Exact Mass: 334.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Sexmero, M.J., Carrillo, H., Melchor, M.J. Phytochemistry (1994) 37, 1359-61

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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 (CH) 119.8
2 (CH2) 23.3
3 (CH2) 29.6
4 (C) 45.1
5 (CH) 38.1
6 (CH2) 23.9
7 (CH2) 28.9
8 (CH) 39.5
9 (C) 43.2
10 (C) 141.8
11 (CH2) 32.5
12 (CH2) 36.3
13 (C) 72.6
14 (CH) 147
15 (CH2) 110.4
16 (CH3) 25.8
17 (CH3) 15.5
18 (C) 178.8
19 (CH3) 22.1
20 (CH3) 22.1
18a (CH3) 51.8