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

CAS Registry Number:

InChI: InChI=1S/C21H30O6/c1-12-17(23)18(24)21(3)14(19(25)26-4)6-5-7-15(21)20(12,2)9-8-13-10-16(22)27-11-13/h6,10,12,15,17-18,23-24H,5,7-9,11H2,1-4H3/t12-,15-,17+,18+,20+,21+/m1/s1

InChIKey: InChIKey=WHHJYCIHDIOTJN-QTMFJGDTSA-N

Formula: C21H30O6

Molecular Weight: 378.460106

Exact Mass: 378.204239

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) 16.7
2 (CH2) 27.2
3 (CH) 140.7
4 (C) 141.7
5 (C) 44.5
6 (CH) 75
7 (CH) 75.4
8 (CH) 36.7
9 (C) 38.2
10 (CH) 45.6
11 (CH2) 37.8
12 (CH2) 22.3
13 (C) 170.1
14 (CH) 115.4
15 (C) 171.3
16 (CH2) 72.9
17 (CH3) 12.4
18 (C) 173.8
19 (CH3) 18.2
20 (CH3) 19.6
18a (CH3) 52.5