7(S)-Hydroperoxy-13-keto-(1S,11R)-dolabella-3(E),8(17),12(18)-triene

7(S)-Hydroperoxy-13-keto-(1S,11R)-dolabella-3(E),8(17),12(18)-triene

Common Name: 7(S)-Hydroperoxy-13-keto-(1S,11R)-dolabella-3(E),8(17),12(18)-triene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-13(2)19-16-8-7-15(4)18(23-22)9-6-14(3)10-11-20(16,5)12-17(19)21/h10,16,18,22H,4,6-9,11-12H2,1-3,5H3/b14-10+/t16-,18+,20-/m0/s1

InChIKey: InChIKey=LYFGNPGVAPNYLI-KRVOYYDXSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xiang, W., Chang, L.C. Planta Med (2006) 72, 735-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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 (C) 39.5
2 (CH2) 40.3
3 (CH) 124.1
4 (C) 137.5
5 (CH2) 39.2
6 (CH2) 30.4
7 (CH) 88.1
8 (C) 149.7
9 (CH2) 35.5
10 (CH2) 31.6
11 (CH) 42.7
12 (C) 138
13 (C) 206
14 (CH2) 55
15 (CH3) 21.8
16 (CH3) 15.1
17 (CH2) 115.4
18 (C) 147.2
19 (CH3) 23.7
20 (CH3) 20.4