(4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-6beta-[(Z)-2-methyl-2-butenoyloxy]-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

(4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-6beta-[(Z)-2-methyl-2-butenoyloxy]-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

Common Name: (4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-6beta-[(Z)-2-methyl-2-butenoyloxy]-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

Synonyms: (4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-6beta-[(Z)-2-methyl-2-butenoyloxy]-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

CAS Registry Number:

InChI: InChI=1S/C21H30O7/c1-7-11(2)17(22)27-14-8-9-20(24)10-21(25)15(12(3)18(23)28-21)16(26-6)19(20,5)13(14)4/h7,13-14,16,24-25H,8-10H2,1-6H3/b11-7-/t13-,14-,16+,19-,20-,21-/m0/s1

InChIKey: InChIKey=BRTZMHHJAMJVLW-RLFRVHPPSA-N

Formula: C21H30O7

Molecular Weight: 394.459511

Exact Mass: 394.199153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Zhang, S.M., Zhao, G.L., Li, R., Lin, G.Q. Phytochemistry (1998) 48, 519-24

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) 27.4
2 (CH2) 30.1
3 (CH) 71.9
4 (CH) 36.7
5 (C) 47.6
6 (CH) 80
7 (C) 153.1
8 (C) 103.6
9 (CH2) 44.4
10 (C) 74.8
11 (C) 129.7
12 (C) 170.6
13 (CH3) 8.7
14 (CH3) 12.6
15 (CH3) 13
3a (C) 167.2
3b (C) 127.4
3c (CH) 141.6
3d (CH3) 20.9
3ba (CH3) 15.7
6a (CH3) 58