(3S)-3alpha,5alpha-Diacetoxy-6,6,9abeta-trimethyl-9beta-(4-methoxy-trans-cinnamoyloxy)-1,3,5,5aalpha,6,7,8,9,9a,9balpha-decahydronaphtho[1,2-c]furan-1-one

(3S)-3alpha,5alpha-Diacetoxy-6,6,9abeta-trimethyl-9beta-(4-methoxy-trans-cinnamoyloxy)-1,3,5,5aalpha,6,7,8,9,9a,9balpha-decahydronaphtho[1,2-c]furan-1-one

Common Name: (3S)-3alpha,5alpha-Diacetoxy-6,6,9abeta-trimethyl-9beta-(4-methoxy-trans-cinnamoyloxy)-1,3,5,5aalpha,6,7,8,9,9a,9balpha-decahydronaphtho[1,2-c]furan-1-one

Synonyms: (3S)-3alpha,5alpha-Diacetoxy-6,6,9abeta-trimethyl-9beta-(4-methoxy-trans-cinnamoyloxy)-1,3,5,5aalpha,6,7,8,9,9a,9balpha-decahydronaphtho[1,2-c]furan-1-one

CAS Registry Number:

InChI: InChI=1S/C29H34O9/c1-16(30)35-21-15-20-24(26(33)38-27(20)36-17(2)31)29(5)22(13-14-28(3,4)25(21)29)37-23(32)12-9-18-7-10-19(34-6)11-8-18/h7-12,15,21-22,24-25,27H,13-14H2,1-6H3/b12-9+/t21-,22+,24+,25-,27-,29+/m0/s1

InChIKey: InChIKey=ADFVEHXRMXRVAL-KMZHOXARSA-N

Formula: C29H34O9

Molecular Weight: 526.575971

Exact Mass: 526.220283

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Fomekong-Fotsop, D., Roussi, F., Callonec, C.L., Bousserouel, H., Litaudon, M., Guéritte, F. Tetrahedron (2008) 64, 2192-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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) 79.8
2 (CH2) 24.1
3 (CH2) 39.9
4 (C) 33.2
5 (CH) 52.7
6 (CH) 69.5
7 (CH) 131.3
8 (C) 136.2
9 (CH) 53.9
10 (C) 43.8
11 (C) 166.3
12 (CH) 94.6
13 (CH3) 33.6
14 (CH3) 22.1
15 (CH3) 11
1' (C) 169.1
2' (CH) 114.7
3' (CH) 145.8
4' (C) 126.7
5' (CH) 129.8
6' (CH) 114.2
7' (C) 161.8
8' (CH) 114.2
9' (CH) 129.8
6a (C) 170.3
6b (CH3) 20.5
12a (C) 170.3
12b (CH3) 20.8
7'a (CH3) 54.9