(1S,3Z,7S,8S,11S,12S)-(+)-7,8-Epoxyverticill-3-en-12,20-diol

(1S,3Z,7S,8S,11S,12S)-(+)-7,8-Epoxyverticill-3-en-12,20-diol

Common Name: (1S,3Z,7S,8S,11S,12S)-(+)-7,8-Epoxyverticill-3-en-12,20-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O3/c1-18(2)15-7-5-14(13-21)6-8-17-20(4,23-17)12-10-16(18)19(3,22)11-9-15/h5,15-17,21-22H,6-13H2,1-4H3/b14-5-/t15-,16+,17+,19+,20+/m1/s1

InChIKey: InChIKey=QAOCILWSSJVYIO-CJFOZEQLSA-N

Formula: C20H34O3

Molecular Weight: 322.482918

Exact Mass: 322.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Gutierrez, H.A., Cerda-Garcia-Rojas, C.M., Hernandez-Hernandez, J.D., Roman-Marin, L.U., Joseph-Nathan, P. Phytochemistry (2008) 69, 2844-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verticillanes; 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 (CH) 43.7
2 (CH2) 33.2
3 (CH) 131.9
4 (C) 136.2
5 (CH2) 33.4
6 (CH2) 26.4
7 (CH) 66
8 (C) 62
9 (CH2) 39.6
10 (CH2) 21.1
11 (CH) 45.3
12 (C) 75.3
13 (CH2) 41.3
14 (CH2) 28
15 (C) 37.5
16 (CH3) 24.9
17 (CH3) 28.9
18 (CH3) 25
19 (CH3) 16.5
20 (CH2) 58.4