(1S,3Z,7S,11S,12S)-(+)-Verticilla-3,8(19)-dien-7,12,20-triol 20-acetate

(1S,3Z,7S,11S,12S)-(+)-Verticilla-3,8(19)-dien-7,12,20-triol 20-acetate

Common Name: (1S,3Z,7S,11S,12S)-(+)-Verticilla-3,8(19)-dien-7,12,20-triol 20-acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-15-6-11-20-21(3,4)18(12-13-22(20,5)25)9-7-17(8-10-19(15)24)14-26-16(2)23/h7,18-20,24-25H,1,6,8-14H2,2-5H3/b17-7-/t18-,19+,20+,22+/m1/s1

InChIKey: InChIKey=GJIRORGIXAOOPP-HMJBALJOSA-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) 43.1
2 (CH2) 33.3
3 (CH) 133.5
4 (C) 132.6
5 (CH2) 33.3
6 (CH2) 33.7
7 (CH) 73.4
8 (C) 155.9
9 (CH2) 34.6
10 (CH2) 26.5
11 (CH) 48
12 (C) 74.1
13 (CH2) 39.2
14 (CH2) 27.7
15 (C) 37.8
16 (CH3) 24.5
17 (CH3) 27.3
18 (CH3) 25
19 (CH2) 109.5
20 (CH2) 61.3
20a (C) 171.2
20b (CH3) 21