(3S)-3abeta,4,5,6,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-6alpha,8beta,9beta-trihydroxyazuleno[4,5-b]furan-2(3H)-one

(3S)-3abeta,4,5,6,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-6alpha,8beta,9beta-trihydroxyazuleno[4,5-b]furan-2(3H)-one

Common Name: (3S)-3abeta,4,5,6,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-6alpha,8beta,9beta-trihydroxyazuleno[4,5-b]furan-2(3H)-one

Synonyms: (3S)-3abeta,4,5,6,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-6alpha,8beta,9beta-trihydroxyazuleno[4,5-b]furan-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C15H22O5/c1-7-8-4-5-14(2,18)9-6-10(16)15(3,19)11(9)12(8)20-13(7)17/h6-8,10-12,16,18-19H,4-5H2,1-3H3/t7-,8-,10+,11-,12-,14-,15+/m0/s1

InChIKey: InChIKey=RTTCYUITIWZDGT-CLIBZWCDSA-N

Formula: C15H22O5

Molecular Weight: 282.33276

Exact Mass: 282.146724

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Segal, R., Eden, L., Danin, A., Kaiser, M., Duddeck, H. Phytochemistry (1984) 23, 2954-6

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 (C) 151.5
2 (CH) 126.7
3 (CH) 78.8
4 (C) 79.2
5 (CH) 58
6 (CH) 80.7
7 (CH) 52.4
8 (CH2) 22.9
9 (CH2) 38.7
10 (C) 69.6
11 (CH) 41
12 (C) 178.9
13 (CH3) 12.5
14 (CH3) 30
15 (CH3) 21.6