2,5,6,6abeta,7,10abeta-Hexahydro-4aalpha-hydroxy-1,6beta,9-trimethylnaphtho[2,1-c][1,2]dioxin-8(4aH)-one

2,5,6,6abeta,7,10abeta-Hexahydro-4aalpha-hydroxy-1,6beta,9-trimethylnaphtho[2,1-c][1,2]dioxin-8(4aH)-one

Common Name: 2,5,6,6abeta,7,10abeta-Hexahydro-4aalpha-hydroxy-1,6beta,9-trimethylnaphtho[2,1-c][1,2]dioxin-8(4aH)-one

Synonyms: 2,5,6,6abeta,7,10abeta-Hexahydro-4aalpha-hydroxy-1,6beta,9-trimethylnaphtho[2,1-c][1,2]dioxin-8(4aH)-one

CAS Registry Number:

InChI: InChI=1S/C15H20O4/c1-8-4-12-11(5-13(8)16)9(2)6-15(17)14(12)10(3)7-18-19-15/h4,9,11-12,17H,5-7H2,1-3H3/t9-,11+,12+,15+/m1/s1

InChIKey: InChIKey=IGIQZZAVYBCVDN-ZFVXVEAMSA-N

Formula: C15H20O4

Molecular Weight: 264.317473

Exact Mass: 264.136159

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - He, L., Hou, J., Gan, M.L., Shi, J.G., Chantrapromma, S., Fun, H.K., Williams, I.D., Sung, H.H.Y. J Nat Prod (2008) 71, 1485-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) 44.7
2 (CH2) 41.2
3 (C) 198.1
4 (C) 134.6
5 (CH) 147
6 (CH) 38.5
7 (C) 131.1
8 (C) 97
9 (CH2) 41.5
10 (CH) 26.1
11 (C) 127.3
12 (CH3) 13.7
13 (CH2) 73
14 (CH3) 15.6
15 (CH3) 18.8