3,3a,5,6,9,9a-Hexahydro-1-(1,5-dimethyl-4,5-dihydroxyhexyl)-3a-methyl-7-hydroxycyclopenta[b][1]benzopyran-8(7H)-one

3,3a,5,6,9,9a-Hexahydro-1-(1,5-dimethyl-4,5-dihydroxyhexyl)-3a-methyl-7-hydroxycyclopenta[b][1]benzopyran-8(7H)-one

Common Name: 3,3a,5,6,9,9a-Hexahydro-1-(1,5-dimethyl-4,5-dihydroxyhexyl)-3a-methyl-7-hydroxycyclopenta[b][1]benzopyran-8(7H)-one

Synonyms: 3,3a,5,6,9,9a-Hexahydro-1-(1,5-dimethyl-4,5-dihydroxyhexyl)-3a-methyl-7-hydroxycyclopenta[b][1]benzopyran-8(7H)-one

CAS Registry Number:

InChI: InChI=1S/C21H32O5/c1-12(5-8-18(23)20(2,3)25)13-9-10-21(4)15(13)11-14-17(26-21)7-6-16(22)19(14)24/h9,12,15-16,18,22-23,25H,5-8,10-11H2,1-4H3

InChIKey: InChIKey=QQLTWWDUOUVAFG-UHFFFAOYSA-N

Formula: C21H32O5

Molecular Weight: 364.476583

Exact Mass: 364.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liebermann B., Nussbaum R.P., Gunther W., Teuscher J.M. Phytochemistry (2001) 56, 551-7

Species:

Notes: Family : Terpenoids, Type : Miscellanea; 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 (CH3) 26.5
2 (C) 73.1
3 (CH) 78.2
4 (CH2) 29.1
5 (CH2) 31.8
6 (CH) 31.9
7 (C) 150.3
8 (CH) 120
9 (CH2) 45
10 (C) 88.6
11 (CH) 46.6
12 (CH2) 15.1
13 (C) 105.2
14 (C) 172.9
15 (CH2) 27.7
16 (CH2) 29.5
17 (CH) 71
18 (C) 197.6
2a (CH3) 22.9
6a (CH3) 19.4
10a (CH3) 23.4