4-Oxo-cyperan-3a,7a,11-triol

4-Oxo-cyperan-3a,7a,11-triol

Common Name: 4-Oxo-cyperan-3a,7a,11-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H26O4/c1-10(16)15-9-14(19,12(2,3)18)8-7-13(15,4)6-5-11(15)17/h11,17-19H,5-9H2,1-4H3/t11-,13+,14-,15-/m0/s1

InChIKey: InChIKey=MIEMTUOJKOSDSV-ATGSNQNLSA-N

Formula: C15H26O4

Molecular Weight: 270.365118

Exact Mass: 270.183109

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Todorova, M.N., Tsankova, E.T. Phytochemistry (1999) 52, 1515-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cyperanes; 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) 37.55
2 (CH2) 32.98
3 (CH) 77.56
4 (C) 212.4
5 (C) 65.99
6 (CH2) 29.58
7 (C) 73.58
8 (CH2) 26.76
9 (CH2) 34.26
10 (C) 43.14
11 (C) 75.65
12 (CH3) 24.98
13 (CH3) 24.58
14 (CH3) 22.98
15 (CH3) 29.83