(4S)-4beta-(Senecioyloxy)-9aalpha-hydroxy-3,4abeta,5beta-trimethyl-4,4a,5,6,7,9a-hexahydronaphtho[2,3-b]furan-2,8-dione

(4S)-4beta-(Senecioyloxy)-9aalpha-hydroxy-3,4abeta,5beta-trimethyl-4,4a,5,6,7,9a-hexahydronaphtho[2,3-b]furan-2,8-dione

Common Name: (4S)-4beta-(Senecioyloxy)-9aalpha-hydroxy-3,4abeta,5beta-trimethyl-4,4a,5,6,7,9a-hexahydronaphtho[2,3-b]furan-2,8-dione

Synonyms: (4S)-4beta-(Senecioyloxy)-9aalpha-hydroxy-3,4abeta,5beta-trimethyl-4,4a,5,6,7,9a-hexahydronaphtho[2,3-b]furan-2,8-dione

CAS Registry Number:

InChI: InChI=1S/C20H24O6/c1-10(2)8-15(22)25-17-16-12(4)18(23)26-20(16,24)9-13-14(21)7-6-11(3)19(13,17)5/h8-9,11,17,24H,6-7H2,1-5H3/t11-,17+,19+,20+/m0/s1

InChIKey: InChIKey=VZTXGPWRBOVDPF-GUDLYQINSA-N

Formula: C20H24O6

Molecular Weight: 360.401726

Exact Mass: 360.157289

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 (C) 207.4
2 (CH2) 32.9
3 (CH2) 27.8
4 (CH) 36.1
5 (C) 50.9
6 (CH) 70.5
7 (C) 153.5
8 (C) 103.9
9 (CH) 118.2
10 (C) 159.1
11 (C) 125.3
12 (C) 172.8
13 (CH3) 8.7
14 (CH3) 16.9
15 (CH3) 9.4
6a (C) 166.8
6b (CH) 114.9
6c (C) 160.9
6d (CH3) 20.6
6e (CH3) 20.6