(5alpha,8alpha,9S,10beta,13E)-Cleroda-4(19),13-dien-15-oic acid

(5alpha,8alpha,9S,10beta,13E)-Cleroda-4(19),13-dien-15-oic acid

Common Name: (5alpha,8alpha,9S,10beta,13E)-Cleroda-4(19),13-dien-15-oic acid

Synonyms: (5alpha,8alpha,9S,10beta,13E)-Cleroda-4(19),13-dien-15-oic acid

CAS Registry Number:

InChI: InChI=1S/C20H32O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,19+,20+/m1/s1

InChIKey: InChIKey=XSMNGDCOAWRVBS-MWRQYBNOSA-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 : Clerodanes; 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 (CH2) 21.7
2 (CH2) 33
3 (CH2) 28.7
4 (C) 160.4
5 (C) 40.2
6 (CH2) 37.3
7 (CH2) 27.4
8 (CH) 36.7
9 (C) 39.4
10 (CH) 48.7
11 (CH2) 34.8
12 (CH2) 36.2
13 (C) 164.4
14 (CH) 144.8
15 (C) 172
16 (CH3) 19.5
17 (CH3) 16
18 (CH2) 102.6
19 (CH3) 20.8
20 (CH3) 18.1