Ent-halima-1(10),13E-dien-15-oic acid

Ent-halima-1(10),13E-dien-15-oic acid

Common Name: Ent-halima-1(10),13E-dien-15-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O2/c1-14(13-18(21)22)10-12-20(5)15(2)8-9-16-17(20)7-6-11-19(16,3)4/h7,13,15-16H,6,8-12H2,1-5H3,(H,21,22)/b14-13+/t15-,16+,20+/m1/s1

InChIKey: InChIKey=MGPKXJKHLWQNJH-UVIZTZHLSA-N

Formula: C20H32O2

Molecular Weight: 304.467632

Exact Mass: 304.24023

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hara, N., Asaki, H., Fujimoto, Y., Gupta, Y.K., Singh, A.K., Sahai, M. Phytochemistry (1995) 38, 189-94

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) 120.3
2 (CH2) 23.1
3 (CH2) 33.2
4 (C) 31.4
5 (CH) 43.5
6 (CH2) 23.6
7 (CH2) 29.1
8 (CH) 39.2
9 (C) 43
10 (C) 141.1
11 (CH2) 37.2
12 (CH2) 36.3
13 (C) 164.8
14 (CH) 115.1
15 (C) 172.4
16 (CH3) 19.5
17 (CH3) 15.6
18 (CH3) 28.2
19 (CH3) 26
20 (CH3) 22.3