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

CAS Registry Number:

InChI: InChI=1S/C30H40O4/c1-22(18-21-34-27(31)16-14-24-10-7-6-8-11-24)17-20-29(3)23(2)13-15-26-25(29)12-9-19-30(26,4)28(32)33-5/h6-8,10-12,14,16,18,23,26H,9,13,15,17,19-21H2,1-5H3/b16-14+,22-18+/t23-,26+,29+,30+/m1/s1

InChIKey: InChIKey=OZTSKZNTXBLLPR-HTRDCYSXSA-N

Formula: C30H40O4

Molecular Weight: 464.637327

Exact Mass: 464.29266

NMR Solvent: C+C

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) 22.9
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) 141.4
11 (CH2) 37.6
12 (CH2) 34.1
13 (C) 143.7
14 (CH) 117.9
15 (CH2) 61.6
16 (CH3) 16.8
17 (CH3) 15.6
18 (C) 178.5
19 (CH3) 20
20 (CH3) 22.4
15a (C) 167
15b (CH) 118.5
15c (CH) 144.6
15d (C) 134.7
15e (CH) 128.9
15f (CH) 128.1
15g (CH) 130.2
15h (CH) 128.1
15i (CH) 128.9
18a (CH3) 51.6