Methyl 2-[(2aR,5R,5aR,7S,8R,8aR,8bS)-2,5-dihydroxy-7-{[2-(hydroxymethyl)acryloyl]oxy}-5a-methyldecahydro-2H-naphtho[1,8-bc]furan-8-yl]acrylate

Methyl 2-[(2aR,5R,5aR,7S,8R,8aR,8bS)-2,5-dihydroxy-7-{[2-(hydroxymethyl)acryloyl]oxy}-5a-methyldecahydro-2H-naphtho[1,8-bc]furan-8-yl]acrylate

Common Name: Methyl 2-[(2aR,5R,5aR,7S,8R,8aR,8bS)-2,5-dihydroxy-7-{[2-(hydroxymethyl)acryloyl]oxy}-5a-methyldecahydro-2H-naphtho[1,8-bc]furan-8-yl]acrylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O8/c1-9(8-21)17(23)27-12-7-20(3)13(22)6-5-11-15(20)16(28-19(11)25)14(12)10(2)18(24)26-4/h11-16,19,21-22,25H,1-2,5-8H2,3-4H3/t11-,12+,13-,14-,15-,16+,19?,20+/m1/s1

InChIKey: InChIKey=XMGJMAXQRQINRK-XZQWSDHKSA-N

Formula: C20H28O8

Molecular Weight: 396.432298

Exact Mass: 396.178418

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Braca, A., De Tommasi, N., Morelli, I.I., Pizza, C. J Nat Prod (1999) 62, 1371-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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
2 (CH2) 30.4
3 (CH2) 24.3
4 (CH) 41.4
5 (CH) 54.5
6 (CH) 77.8
7 (CH) 55.3
8 (CH) 74.2
9 (CH2) 44.6
10 (C) 35.2
11 (C) 136
12 (CH2) 124.8
13 (C) 168
14 (CH3) 11.2
15 (CH) 107
8a (C) 167
8b (C) 140.2
8c (CH2) 128.3
8ba (CH2) 60.7
13a (CH3) 51.9