(4S)-4beta-(Angeloyloxy)-9aalpha-hydroxy-3,4abeta,5beta-trimethyl-4a,5,6,7,9,9a-hexahydronaphtho[2,3-b]furan-2(4H)-one

(4S)-4beta-(Angeloyloxy)-9aalpha-hydroxy-3,4abeta,5beta-trimethyl-4a,5,6,7,9,9a-hexahydronaphtho[2,3-b]furan-2(4H)-one

Common Name: (4S)-4beta-(Angeloyloxy)-9aalpha-hydroxy-3,4abeta,5beta-trimethyl-4a,5,6,7,9,9a-hexahydronaphtho[2,3-b]furan-2(4H)-one

Synonyms: (4S)-4beta-(Angeloyloxy)-9aalpha-hydroxy-3,4abeta,5beta-trimethyl-4a,5,6,7,9,9a-hexahydronaphtho[2,3-b]furan-2(4H)-one

CAS Registry Number:

InChI: InChI=1S/C20H26O5/c1-6-11(2)17(21)24-16-15-13(4)18(22)25-20(15,23)10-14-9-7-8-12(3)19(14,16)5/h6,9,12,16,23H,7-8,10H2,1-5H3/b11-6-/t12-,16+,19+,20+/m0/s1

InChIKey: InChIKey=WQHFMPJKDVURIK-FIVJDQCNSA-N

Formula: C20H26O5

Molecular Weight: 346.418202

Exact Mass: 346.178024

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, W., Gao, K., Jia, Z. J Nat Prod (2002) 65, 714-7

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 (CH) 130.2
2 (CH2) 24.3
3 (CH2) 28.1
4 (CH) 44.8
5 (C) 45.1
6 (CH) 70.1
7 (C) 155.6
8 (C) 102.3
9 (CH2) 36.7
10 (C) 142.4
11 (C) 124
12 (C) 172.3
13 (CH3) 14.2
14 (CH3) 17.6
15 (CH3) 7.9
6a (C) 165.6
6b (C) 126.4
6c (CH) 144.3
6d (CH3) 20.5
6e (CH3) 16