(5alpha,8alpha,9S,10beta)-16-Hydroxycleroda-4(19),13-dien-15-oic acid lactone

(5alpha,8alpha,9S,10beta)-16-Hydroxycleroda-4(19),13-dien-15-oic acid lactone

Common Name: (5alpha,8alpha,9S,10beta)-16-Hydroxycleroda-4(19),13-dien-15-oic acid lactone

Synonyms: (5alpha,8alpha,9S,10beta)-16-Hydroxycleroda-4(19),13-dien-15-oic acid lactone

CAS Registry Number:

InChI: InChI=1S/C20H30O2/c1-14-6-5-7-17-19(14,3)10-8-15(2)20(17,4)11-9-16-12-18(21)22-13-16/h12,15,17H,1,5-11,13H2,2-4H3/t15-,17+,19+,20+/m1/s1

InChIKey: InChIKey=JHNODZDJDYADGX-LQJIQPLVSA-N

Formula: C20H30O2

Molecular Weight: 302.45175

Exact Mass: 302.22458

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) 32.9
3 (CH2) 28.6
4 (C) 160.1
5 (C) 40
6 (CH2) 37.2
7 (CH2) 27.3
8 (CH) 36.7
9 (C) 39.2
10 (CH) 48.7
11 (CH2) 35.2
12 (CH2) 22.3
13 (C) 171.1
14 (CH) 114.9
15 (C) 174
16 (CH2) 73
17 (CH3) 16
18 (CH2) 102.8
19 (CH3) 20.7
20 (CH3) 17.9