4beta-(Angeloyloxy)-3,4abeta-dimethyl-4,4a,5,6,7,8,8abeta,9-octahydronaphtho[2,3-b]furan-5beta-carboxylic acid

4beta-(Angeloyloxy)-3,4abeta-dimethyl-4,4a,5,6,7,8,8abeta,9-octahydronaphtho[2,3-b]furan-5beta-carboxylic acid

Common Name: 4beta-(Angeloyloxy)-3,4abeta-dimethyl-4,4a,5,6,7,8,8abeta,9-octahydronaphtho[2,3-b]furan-5beta-carboxylic acid

Synonyms: 4beta-(Angeloyloxy)-3,4abeta-dimethyl-4,4a,5,6,7,8,8abeta,9-octahydronaphtho[2,3-b]furan-5beta-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C20H26O5/c1-5-11(2)19(23)25-17-16-12(3)10-24-15(16)9-13-7-6-8-14(18(21)22)20(13,17)4/h5,10,13-14,17H,6-9H2,1-4H3,(H,21,22)/b11-5-/t13-,14-,17-,20+/m1/s1

InChIKey: InChIKey=YOHUCVRCSMMGNP-ZEDWEPIESA-N

Formula: C20H26O5

Molecular Weight: 346.418202

Exact Mass: 346.178024

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Tori, M., Nakamizo, H., Mihara, K., Sato, M., Okamoto, Y., Nakashima, K., Tanaka, M., Saito, Y., Sono, M., Gong, X., Shen, Y., Hanai, R., Kuroda, C. Phytochemistry (2008) 69, 1158-65

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) 25.6
2 (CH2) 24.4
3 (CH2) 20.1
4 (CH) 44.2
5 (C) 39.5
6 (CH) 69.2
7 (C) 115.9
8 (C) 151.4
9 (CH2) 26.5
10 (CH) 36.3
11 (C) 119.5
12 (CH) 138.2
13 (CH3) 7.8
14 (CH3) 18.3
15 (C) 175.7
6a (C) 167.3
6b (C) 128.1
6c (CH) 136.7
6d (CH3) 15
6ba (CH3) 19.9