Common Name: Trihydroxyisodaucane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3)11(16)6-8-15(4,18)13(17)12(10)14/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15-/m0/s1
InChIKey: InChIKey=XUVQJFBJHKRROA-ZYIYBEKCSA-N
Formula: C15H28O3
Molecular Weight: 256.381594
Exact Mass: 256.203845
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Tchuendem, M.H., Mbah, J.A., Tsopmo, A., Ayafor, J.F., Sterner, O., Okunjic, C.C., Iwu, M.M., Schuster, B.M. Phytochemistry (1999) 52, 1095-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Isodaucanes; 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)
Position | PPM |
---|---|
1 (C) | 48.4 |
2 (CH2) | 39.2 |
3 (CH2) | 24.3 |
4 (CH) | 50.3 |
5 (CH) | 51.6 |
6 (CH) | 76.7 |
7 (C) | 73.8 |
8 (CH2) | 33.4 |
9 (CH2) | 27.9 |
10 (CH) | 74.9 |
11 (CH) | 31.9 |
12 (CH3) | 22.4 |
13 (CH3) | 17.6 |
14 (CH3) | 25.7 |
15 (CH3) | 25.6 |