4alpha-(Isobutyryloxy)-3-methylene-6-formyl-9alpha-hydroxy-9-(hydroxymethyl)-3abeta,4,6abeta,7,8,9,9abeta,9balpha-octahydro-3H-1-oxa-2H-cyclopenta[e]azulene-2-one

4alpha-(Isobutyryloxy)-3-methylene-6-formyl-9alpha-hydroxy-9-(hydroxymethyl)-3abeta,4,6abeta,7,8,9,9abeta,9balpha-octahydro-3H-1-oxa-2H-cyclopenta[e]azulene-2-one

Common Name: 4alpha-(Isobutyryloxy)-3-methylene-6-formyl-9alpha-hydroxy-9-(hydroxymethyl)-3abeta,4,6abeta,7,8,9,9abeta,9balpha-octahydro-3H-1-oxa-2H-cyclopenta[e]azulene-2-one

Synonyms: 4alpha-(Isobutyryloxy)-3-methylene-6-formyl-9alpha-hydroxy-9-(hydroxymethyl)-3abeta,4,6abeta,7,8,9,9abeta,9balpha-octahydro-3H-1-oxa-2H-cyclopenta[e]azulene-2-one

CAS Registry Number:

InChI: InChI=1S/C19H24O7/c1-9(2)17(22)25-13-6-11(7-20)12-4-5-19(24,8-21)15(12)16-14(13)10(3)18(23)26-16/h6-7,9,12-16,21,24H,3-5,8H2,1-2H3/t12-,13+,14+,15-,16-,19+/m0/s1

InChIKey: InChIKey=RBLRXGNZYCTPBS-LFMDGEQZSA-N

Formula: C19H24O7

Molecular Weight: 364.390395

Exact Mass: 364.152203

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xiang, Y., Fan, C.Q., Yue, J.M. Helv Chim Acta (2005) 88, 160-70

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) 39
2 (CH2) 31.8
3 (CH2) 36.2
4 (C) 83.6
5 (CH) 51.6
6 (CH) 76.7
7 (CH) 47.7
8 (CH) 64.2
9 (CH) 142.4
10 (C) 146.7
11 (C) 133.5
12 (C) 168
13 (CH2) 122.4
14 (CH) 195
15 (CH2) 70
8a (C) 176.3
8b (CH) 33.8
8c (CH3) 18.8
8d (CH3) 19.2