5alpha,6alpha,8aalpha-Trimethyl-5-[2-(furan-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester

5alpha,6alpha,8aalpha-Trimethyl-5-[2-(furan-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester

Common Name: 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(furan-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester

Synonyms: 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(furan-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H30O4/c1-14-12-18(22)21(3)16(19(23)24-4)6-5-7-17(21)20(14,2)10-8-15-9-11-25-13-15/h6,9,11,13-14,17-18,22H,5,7-8,10,12H2,1-4H3/t14-,17-,18+,20+,21+/m1/s1

InChIKey: InChIKey=PDCJRPDIEWEPHE-WTLMAMESSA-N

Formula: C21H30O4

Molecular Weight: 346.461296

Exact Mass: 346.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Das, B., Ravinder Reddy, M., Ramu, R., Ravindranath, N., Harish, H., Ramakrishna, K.V., Koteswar Rao, Y., Harakishore, K., Murthy, U.S. Phytochemistry (2005) 66, 633-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 17.3
2 (CH2) 27.1
3 (CH) 138.3
4 (C) 141.4
5 (C) 44.8
6 (CH) 74.4
7 (CH2) 36.2
8 (CH) 34
9 (C) 38.6
10 (CH) 45.5
11 (CH2) 38.6
12 (CH2) 17.9
13 (C) 125.3
14 (CH) 110.8
15 (CH) 142.7
16 (CH) 138.9
17 (CH3) 15.6
18 (C) 171.7
19 (CH3) 16.4
20 (CH3) 17.6
18a (CH3) 52.2