8β-Hydroxy-9α-(2-methylbutyryloxy)-14-oxoacanthospermolide

8β-Hydroxy-9α-(2-methylbutyryloxy)-14-oxoacanthospermolide

Common Name: 8β-Hydroxy-9α-(2-methylbutyryloxy)-14-oxoacanthospermolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-5-12(3)19(23)26-18-14(10-21)8-6-7-11(2)9-15-16(17(18)22)13(4)20(24)25-15/h8-10,12,15-18,22H,4-7H2,1-3H3/b11-9+,14-8-/t12?,15-,16+,17+,18-/m1/s1

InChIKey: InChIKey=ALVKLWITZXUJDZ-WLQKSHFLSA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sanchez, M., Kramer, F., Bargardi, S., Palermo, J.A. Phytochemistry Lett (2009) 2, 93-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) 159.4
2 (CH2) 26.8
3 (CH2) 36.9
4 (C) 138.5
5 (CH) 126.9
6 (CH) 74.2
7 (CH) 51.3
8 (CH) 68
9 (CH) 72.7
10 (C) 141.5
11 (C) 136
12 (C) 169.3
13 (CH2) 120.3
14 (CH) 194.2
15 (CH3) 17
9a (C) 176.3
9b (CH) 41
9c (CH2) 26.7
9d (CH3) 16.3
9e (CH3) 11.5