3-Isocyanobisabolane-7,10-diene

3-Isocyanobisabolane-7,10-diene

Common Name: 3-Isocyanobisabolane-7,10-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C16H26N/c1-13(2)7-6-8-14(3)15-9-11-16(4,17-5)12-10-15/h5,7-8,15H,6,9-12H2,1-4H3/q+1/b14-8+/t15-,16-

InChIKey: InChIKey=CCFYZSNAWWFYPB-KYIDNMATSA-N

Formula: C16H26N1

Molecular Weight: 232.384977

Exact Mass: 232.206525

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Iwashima, M., Terada, I., Iguchi, K., Yamori, T. Chem Pharm Bull (2002) 50, 1286-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) 26.7
2 (CH2) 38.4
3 (C) 56.3
4 (CH2) 38.4
5 (CH2) 26.7
6 (CH) 44.7
7 (C) 137.8
8 (CH) 122.6
9 (CH2) 27.4
10 (CH) 123.7
11 (C) 131.3
12 (CH3) 17.7
13 (CH3) 25.8
14 (CH3) 14.6
15 (CH3) 24.8
16 (CH) 156.1