abieto-8(14)-en-18-ol 9a,13a-endoperoxide

abieto-8(14)-en-18-ol 9a,13a-endoperoxide

Common Name: abieto-8(14)-en-18-ol 9a,13a-endoperoxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-14(2)19-10-11-20(23-22-19)15(12-19)6-7-16-17(3,13-21)8-5-9-18(16,20)4/h12,14,16,21H,5-11,13H2,1-4H3/t16-,17-,18-,19?,20?/m0/s1

InChIKey: InChIKey=NVECILAMICWAEO-YUUDKIHESA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Khamidullina, E.A., Vereshchagin, A.L., Medvedeva, S.A. Chem Nat Compd (2005) 41, 426-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) 34.18
2 (CH2) 17.68
3 (CH2) 35.75
4 (C) 38.85
5 (CH) 38.45
6 (CH2) 23.49
7 (CH2) 27.35
8 (C) 144.27
9 (C) 82.33
10 (C) 38.74
11 (CH2) 18.72
12 (CH2) 25.33
13 (C) 79.75
14 (CH) 126.69
15 (CH) 32.27
16 (CH3) 18.14
17 (CH3) 18.68
18 (CH2) 71.73
19 (CH3) 17.53
20 (CH3) 17.2