5alpha,6alpha,8aalpha-Trimethyl-5-[2-(5-oxo-2,5-dihydrofuran-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-(5-oxo-2,5-dihydrofuran-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-(5-oxo-2,5-dihydrofuran-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-(5-oxo-2,5-dihydrofuran-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/C21H30O5/c1-13-10-17(22)21(3)15(19(24)25-4)6-5-7-16(21)20(13,2)9-8-14-11-18(23)26-12-14/h6,11,13,16-17,22H,5,7-10,12H2,1-4H3/t13-,16-,17+,20+,21+/m1/s1

InChIKey: InChIKey=WXKAHDUEQYNCAI-JIVFAJJISA-N

Formula: C21H30O5

Molecular Weight: 362.460701

Exact Mass: 362.209324

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) 17.1
2 (CH2) 26.8
3 (CH) 138.2
4 (C) 140.5
5 (C) 44.1
6 (CH) 74.8
7 (CH2) 35.2
8 (CH) 34.3
9 (C) 38.1
10 (CH) 45.1
11 (CH2) 33.4
12 (CH2) 22.1
13 (C) 169.8
14 (CH) 114.2
15 (C) 173.3
16 (CH2) 72.2
17 (CH3) 15.2
18 (C) 170.8
19 (CH3) 16.3
20 (CH3) 17.2
18a (CH3) 52.2