Spektraris NMR
(1aS)-2beta,4beta-Dihydroxy-1abeta,2,3,4,7abeta,7b-hexahydro-3,3,5,7bbeta-tetramethyl-1H-cyclopropa[e]azulene-6(7H)-one
![(1aS)-2beta,4beta-Dihydroxy-1abeta,2,3,4,7abeta,7b-hexahydro-3,3,5,7bbeta-tetramethyl-1H-cyclopropa[e]azulene-6(7H)-one](/nmr/static/nmr/svg/6717.svg)
Common Name: (1aS)-2beta,4beta-Dihydroxy-1abeta,2,3,4,7abeta,7b-hexahydro-3,3,5,7bbeta-tetramethyl-1H-cyclopropa[e]azulene-6(7H)-one
Synonyms: (1aS)-2beta,4beta-Dihydroxy-1abeta,2,3,4,7abeta,7b-hexahydro-3,3,5,7bbeta-tetramethyl-1H-cyclopropa[e]azulene-6(7H)-one
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-7-10(16)5-8-11(7)13(18)14(2,3)12(17)9-6-15(8,9)4/h8-9,12-13,17-18H,5-6H2,1-4H3/t8-,9+,12+,13-,15-/m0/s1
InChIKey: InChIKey=XHCBDRQGSZIZOX-LLSOINDXSA-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 (CH) | 77.5 |
| 2 (C) | 170.1 |
| 3 (C) | 136.5 |
| 4 (C) | 210.5 |
| 5 (CH2) | 39.8 |
| 6 (CH) | 41.4 |
| 7 (C) | 19.9 |
| 8 (CH2) | 18.4 |
| 9 (CH) | 28 |
| 10 (CH) | 78.2 |
| 11 (C) | 40.9 |
| 12 (CH3) | 26.8 |
| 13 (CH3) | 23.2 |
| 14 (CH3) | 18.7 |
| 15 (CH3) | 7.6 |
