5alpha,6alpha,8aalpha-Trimethyl-5-[2-(2-oxo-5-hydroxy-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-(2-oxo-5-hydroxy-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-(2-oxo-5-hydroxy-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-(2-oxo-5-hydroxy-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/C21H30O6/c1-12-10-16(22)21(3)14(19(25)26-4)6-5-7-15(21)20(12,2)9-8-13-11-17(23)27-18(13)24/h6,11-12,15-17,22-23H,5,7-10H2,1-4H3/t12-,15-,16+,17?,20+,21+/m1/s1

InChIKey: InChIKey=IAOFEWQUUQTEJH-WATZQGMSSA-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) 17.5
2 (CH2) 27.1
3 (CH) 140.6
4 (C) 140.9
5 (C) 44.8
6 (CH) 74.3
7 (CH2) 35.9
8 (CH) 34
9 (C) 38.6
10 (CH) 45.5
11 (CH2) 35.7
12 (CH2) 18.6
13 (C) 138.5
14 (CH) 142.9
15 (CH) 96.7
16 (C) 171.5
17 (CH3) 15.5
18 (C) 171.7
19 (CH3) 16.5
20 (CH3) 17.1
18a (CH3) 52.4