6alpha-Hydroxyilicic acid

6alpha-Hydroxyilicic acid

Common Name: 6alpha-Hydroxyilicic acid

Synonyms: 6alpha-Hydroxyilicic acid

CAS Registry Number:

InChI: InChI=1S/C15H24O4/c1-9(13(17)18)10-4-5-14(2)7-11(16)8-15(3,19)12(14)6-10/h10-12,16,19H,1,4-8H2,2-3H3,(H,17,18)/t10-,11+,12-,14+,15-/m1/s1

InChIKey: InChIKey=ZVJCVPQIEVSWAD-FMKNKJFCSA-N

Formula: C15H24O4

Molecular Weight: 268.349236

Exact Mass: 268.167459

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Zheng, Q., Xu, Z., Sun, X., Yao, W., Sun, H., Cheng, C.H., Zhao, Y. Phytochemistry (2003) 63, 835-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 50.2
2 (CH) 67.8
3 (CH2) 47.8
4 (C) 70.9
5 (CH) 55.6
6 (CH2) 27.4
7 (CH) 41.4
8 (CH2) 27.6
9 (CH2) 45.9
10 (C) 34.8
11 (C) 148.4
12 (CH2) 121.5
13 (C) 170
14 (CH3) 20.8
15 (CH3) 25.6