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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C22H34O4/c1-16(11-14-26-15-23)10-13-21(3)17(2)8-9-19-18(21)7-6-12-22(19,4)20(24)25-5/h7,11,15,17,19H,6,8-10,12-14H2,1-5H3/b16-11+/t17-,19+,21+,22+/m1/s1

InChIKey: InChIKey=DZICGSYWAZOKHD-CYVNUBFGSA-N

Formula: C22H34O4

Molecular Weight: 362.503795

Exact Mass: 362.24571

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 (CH2) 30.7
4 (C) 45
5 (CH) 38.5
6 (CH2) 23
7 (CH2) 28.5
8 (CH) 38.5
9 (C) 42.9
10 (C) 141.3
11 (CH2) 37.7
12 (CH2) 34.1
13 (C) 143.4
14 (CH) 117.2
15 (CH2) 60.9
16 (CH3) 16.7
17 (CH3) 15.6
18 (C) 178.4
19 (CH3) 20.1
20 (CH3) 22.4
15a (CH) 161
18a (CH3) 51.6