(1aS)-1abeta,2,3,4,5,7b-Hexahydro-3,3,5,7bbeta-tetramethyl-5alpha,6alpha-dihydroxy-1H-cycloprop[e]azulen-7(6H)-one

(1aS)-1abeta,2,3,4,5,7b-Hexahydro-3,3,5,7bbeta-tetramethyl-5alpha,6alpha-dihydroxy-1H-cycloprop[e]azulen-7(6H)-one

Common Name: (1aS)-1abeta,2,3,4,5,7b-Hexahydro-3,3,5,7bbeta-tetramethyl-5alpha,6alpha-dihydroxy-1H-cycloprop[e]azulen-7(6H)-one

Synonyms: (1aS)-1abeta,2,3,4,5,7b-Hexahydro-3,3,5,7bbeta-tetramethyl-5alpha,6alpha-dihydroxy-1H-cycloprop[e]azulen-7(6H)-one

CAS Registry Number:

InChI: InChI=1S/C15H22O3/c1-13(2)5-8-6-14(8,3)10-9(7-13)15(4,18)12(17)11(10)16/h8,12,17-18H,5-7H2,1-4H3/t8-,12+,14+,15-/m0/s1

InChIKey: InChIKey=KTKIBPTZPFNWGI-MKSSDUHQSA-N

Formula: C15H22O3

Molecular Weight: 250.33395

Exact Mass: 250.156895

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Bovi Mitre, G., Kamiya, N., Bardon, A., Asakawa, Y. J Nat Prod (2004) 67, 31-6

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Africananes; 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 (CH2) 37.83
2 (C) 173.68
3 (C) 78.4
4 (CH) 82.54
5 (C) 203.48
6 (C) 139.24
7 (C) 15.53
8 (CH2) 19.29
9 (CH) 18.63
10 (CH2) 43.65
11 (C) 31.88
12 (CH3) 22.8
13 (CH3) 31.59
14 (CH3) 29.61
15 (CH3) 23.15