(9S,10S)-Ent-9,10-epoxy-5-epi-verticillol

(9S,10S)-Ent-9,10-epoxy-5-epi-verticillol

Common Name: (9S,10S)-Ent-9,10-epoxy-5-epi-verticillol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O2/c1-14-6-8-15-10-12-19(4,21)16(18(15,2)3)11-13-20(5)17(22-20)9-7-14/h6,15-17,21H,7-13H2,1-5H3/b14-6+/t15-,16-,17+,19-,20+/m1/s1

InChIKey: InChIKey=YBDSELNXKDAMQU-XSCKEXGNSA-N

Formula: C20H34O2

Molecular Weight: 306.483513

Exact Mass: 306.25588

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nagashima, F., Kishi, K., Hamada, Y., Takaoka, S., Asakawa, Y. Phytochemistry (2005) 66, 1662-70

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) 44.2
2 (CH2) 33.9
3 (CH) 127.8
4 (C) 133.4
5 (CH2) 38.8
6 (CH2) 26.1
7 (CH) 66.9
8 (C) 62
9 (CH2) 40.5
10 (CH2) 20.4
11 (CH) 43.6
12 (C) 73.4
13 (CH2) 39.2
14 (CH2) 26.6
15 (C) 37.1
16 (CH3) 29.3
17 (CH3) 25.6
18 (CH3) 33
19 (CH3) 16.4
20 (CH3) 15.3