(1beta,5alpha,6S,7S)-6,11-Cyclo-4alpha-hydroxy-4-methyl-14,15-dinorambrosane-10-one

(1beta,5alpha,6S,7S)-6,11-Cyclo-4alpha-hydroxy-4-methyl-14,15-dinorambrosane-10-one

Common Name: (1beta,5alpha,6S,7S)-6,11-Cyclo-4alpha-hydroxy-4-methyl-14,15-dinorambrosane-10-one

Synonyms: (1beta,5alpha,6S,7S)-6,11-Cyclo-4alpha-hydroxy-4-methyl-14,15-dinorambrosane-10-one

CAS Registry Number:

InChI: InChI=1S/C14H22O2/c1-13(2)9-4-5-10(15)8-6-7-14(3,16)11(8)12(9)13/h8-9,11-12,16H,4-7H2,1-3H3/t8-,9+,11+,12+,14-/m1/s1

InChIKey: InChIKey=WGGGLYPWFRDVEK-HPTDNVDKSA-N

Formula: C14H22O2

Molecular Weight: 222.323809

Exact Mass: 222.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Iguchi, K., Fukaya, T., Yasumoto, A., Watanabe, K. J Nat Prod (2004) 67, 577-83

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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) 57.9
2 (CH2) 21
3 (CH2) 40.9
4 (C) 80.1
5 (CH) 49.6
6 (CH) 26.6
7 (CH) 26.3
8 (CH2) 20.2
9 (CH2) 44
10 (C) 211.2
11 (C) 18.8
12 (CH3) 28.7
13 (CH3) 16.1
15 (CH3) 23.7