3alpha-Hydroxylabda-8(20),13(16),14-trien-11-one

3alpha-Hydroxylabda-8(20),13(16),14-trien-11-one

Common Name: 3alpha-Hydroxylabda-8(20),13(16),14-trien-11-one

Synonyms: 3alpha-Hydroxylabda-8(20),13(16),14-trien-11-one

CAS Registry Number:

InChI: InChI=1S/C20H30O2/c1-7-13(2)12-15(21)18-14(3)8-9-16-19(4,5)17(22)10-11-20(16,18)6/h7,16-18,22H,1-3,8-12H2,4-6H3/t16-,17+,18+,20-/m0/s1

InChIKey: InChIKey=LLFVYKSZMYVXBD-XFKSJGNHSA-N

Formula: C20H30O2

Molecular Weight: 302.45175

Exact Mass: 302.22458

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hertewich, U.M., Zapp, J., Becker, H. Phytochemistry (2003) 63, 227-33

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) 36.6
2 (CH2) 27.6
3 (CH) 78.8
4 (C) 39.2
5 (CH) 54.1
6 (CH2) 23.3
7 (CH2) 36.6
8 (C) 144.4
9 (CH) 66.1
10 (C) 39.6
11 (C) 207.6
12 (CH2) 49.2
13 (C) 140
14 (CH) 138.2
15 (CH2) 115.1
16 (CH2) 119.8
17 (CH2) 109.2
18 (CH3) 28.3
19 (CH3) 15.4
20 (CH3) 14.5