4alpha-[(Z)-2-Methyl-2-butenoyloxy]-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-[(Z)-2-Methyl-2-butenoyloxy]-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-[(Z)-2-Methyl-2-butenoyloxy]-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-[(Z)-2-Methyl-2-butenoyloxy]-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/C20H24O7/c1-4-10(2)18(23)26-14-7-12(8-21)13-5-6-20(25,9-22)16(13)17-15(14)11(3)19(24)27-17/h4,7-8,13-17,22,25H,3,5-6,9H2,1-2H3/b10-4-/t13-,14+,15+,16-,17-,20+/m0/s1

InChIKey: InChIKey=XBBMPUVWLQVMGN-NYGMSNRTSA-N

Formula: C20H24O7

Molecular Weight: 376.401131

Exact Mass: 376.152203

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) 39.1
2 (CH2) 31.6
3 (CH2) 36.2
4 (C) 83.5
5 (CH) 51.7
6 (CH) 76.9
7 (CH) 47.9
8 (CH) 64.3
9 (CH) 142.6
10 (C) 146.8
11 (C) 133.5
12 (C) 167.8
13 (CH2) 122.5
14 (CH) 194.9
15 (CH2) 70
8a (C) 166.6
8b (C) 126.5
8c (CH) 140.6
8d (CH3) 16
8ba (CH3) 20.5