Methyl 2a,3b-dihydroxy-4(18)-neo-cleroden-15-oate

Methyl 2a,3b-dihydroxy-4(18)-neo-cleroden-15-oate

Common Name: Methyl 2a,3b-dihydroxy-4(18)-neo-cleroden-15-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H36O4/c1-13(11-18(23)25-6)7-9-20(4)14(2)8-10-21(5)15(3)19(24)16(22)12-17(20)21/h13-14,16-17,19,22,24H,3,7-12H2,1-2,4-6H3/t13?,14-,16-,17-,19-,20+,21+/m1/s1

InChIKey: InChIKey=QFSPHXMKLQWTLA-JBDNHMGWSA-N

Formula: C21H36O4

Molecular Weight: 352.508941

Exact Mass: 352.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Jimenez, A., Gomez, A., Lithgow, A.M. Phytochemistry (1995) 38, 443-5

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) 28.4
2 (CH) 75.3
3 (CH) 76.8
4 (C) 158
5 (C) 39.9
6 (CH2) 37.2
7 (CH2) 27.2
8 (CH) 36.4
9 (C) 38.9
10 (CH) 44.9
11 (CH2) 35.4
12 (CH2) 29.2
13 (CH) 30.9
14 (CH2) 41.4
15 (C) 173.6
16 (CH3) 19.9
17 (CH3) 15.8
18 (CH2) 101.7
19 (CH3) 21.4
20 (CH3) 18.2
15a (CH3) 51.4