3β-hydroxy-8-epiambroxide

3β-hydroxy-8-epiambroxide

Common Name: 3β-hydroxy-8-epiambroxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C16H28O2/c1-14(2)11-5-9-16(4)12(7-10-18-16)15(11,3)8-6-13(14)17/h11-13,17H,5-10H2,1-4H3/t11-,12+,13-,15-,16-/m0/s1

InChIKey: InChIKey=XZUJHYMMQZZRER-AKIOZOGOSA-N

Formula: C16H28O2

Molecular Weight: 252.392925

Exact Mass: 252.20893

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hanson, J.R., Truneh, A. Phytochemistry (1996) 42, 1021-3

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 37.8
2 (CH2) 27.3
3 (CH) 78.1
4 (C) 38.7
5 (CH) 55.2
6 (CH2) 20.3
7 (CH2) 44.2
8 (C) 71.8
9 (CH) 59.4
10 (C) 39.1
11 (CH2) 28.2
12 (CH2) 63.6
17 (CH3) 24.6
18 (CH3) 28.4
19 (CH3) 15.7
20 (CH3) 15.5