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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-15(23)25-14-16-6-8-17-10-12-21(4,24)18(20(17,2)3)11-13-22(5)19(26-22)9-7-16/h6,17-19,24H,7-14H2,1-5H3/b16-6-/t17-,18+,19+,21+,22+/m1/s1

InChIKey: InChIKey=GXUUJFVYGVUSPX-MTGCWZIMSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

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) 43.6
2 (CH2) 33.4
3 (CH) 134.5
4 (C) 131.6
5 (CH2) 34
6 (CH2) 26.5
7 (CH) 65.9
8 (C) 62.1
9 (CH2) 39.6
10 (CH2) 21.1
11 (CH) 45.3
12 (C) 75.3
13 (CH2) 41.2
14 (CH2) 27.9
15 (C) 37.5
16 (CH3) 24.8
17 (CH3) 28.9
18 (CH3) 25
19 (CH3) 16.6
20 (CH2) 60.3
20a (C) 171.1
20b (CH3) 20.9