CHEMBL2227788

CHEMBL2227788

Common Name: CHEMBL2227788

Synonyms: CHEMBL2227788

CAS Registry Number:

InChI: InChI=1S/C16H26O2/c1-14(2)9-13(18-4)16-8-6-12(17)15(3,10-16)7-5-11(14)16/h11,13H,5-10H2,1-4H3/t11-,13-,15-,16-/m0/s1

InChIKey: InChIKey=OPOZLLBXDVIYTB-MZGVZZPPSA-N

Formula: C16H26O2

Molecular Weight: 250.377044

Exact Mass: 250.19328

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Arantes, S.F., Hanson, J.R., Mobbs, D.J. Phytochemistry (1999) 52, 631-4

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Clovanes; 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 (C) 44.6
2 (CH) 89
3 (CH2) 43.8
4 (C) 38.2
5 (CH) 50.8
6 (CH2) 20.4
7 (CH2) 33.9
8 (C) 44.3
9 (C) 216.3
10 (CH2) 42.6
11 (CH2) 32.4
12 (CH2) 35.6
13 (CH3) 24.9
14 (CH3) 32
15 (CH3) 26.1
2a (CH3) 57.7