(4aS,5R,6S,8R,8aS)-5-[2-(3-furyl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

(4aS,5R,6S,8R,8aS)-5-[2-(3-furyl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

Common Name: (4aS,5R,6S,8R,8aS)-5-[2-(3-furyl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

Synonyms: (4aS,5R,6S,8R,8aS)-5-[2-(3-furyl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-13-11-17(21)20(3)15(18(22)23)5-4-6-16(20)19(13,2)9-7-14-8-10-24-12-14/h5,8,10,12-13,16-17,21H,4,6-7,9,11H2,1-3H3,(H,22,23)/t13-,16-,17+,19+,20+/m0/s1

InChIKey: InChIKey=XWKYXEIGWQYOCY-QHCBNBHTSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Anis, I., Anis, F., Ahmed, S., Mustafa, G., Malik, A., Amtul, Z., Atta ur, R. Helv Chim Acta (2001) 84, 649-55

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
2 (CH2) 27.8
3 (CH) 142.04
4 (C) 140.79
5 (C) 45.4
6 (CH) 74.19
7 (CH2) 35.5
8 (CH) 33.6
9 (C) 38.4
10 (CH) 45.4
11 (CH2) 38.4
12 (CH2) 17.2
13 (C) 125.07
14 (CH) 110.64
15 (CH) 142.4
16 (CH) 138
17 (CH3) 15.2
18 (CH3) 16.5
19 (C) 172.2
20 (CH3) 17.2