12(S)-Hydroxy-16ξ-methoxycleroda-3,13-dien-15,16-olide

12(S)-Hydroxy-16ξ-methoxycleroda-3,13-dien-15,16-olide

Common Name: 12(S)-Hydroxy-16ξ-methoxycleroda-3,13-dien-15,16-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O4/c1-13-7-6-8-17-20(13,3)10-9-14(2)21(17,4)12-16(22)15-11-18(23)25-19(15)24-5/h7,11,14,16-17,19,22H,6,8-10,12H2,1-5H3/t14-,16+,17+,19?,20+,21+/m1/s1

InChIKey: InChIKey=XBAWZHGXCOFTIQ-ZCHWFQSNSA-N

Formula: C21H32O4

Molecular Weight: 348.477178

Exact Mass: 348.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jones, W.P., Lobo-Echeverri, T., Mi, Q., Chai, H.B., Soejarto, D.D., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. J Nat Prod (2007) 70, 372-7

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) 19.2
2 (CH2) 26.7
3 (CH) 120.7
4 (C) 144.1
5 (C) 38.4
6 (CH2) 36.5
7 (CH2) 27.5
8 (CH) 37
9 (C) 39.8
10 (CH) 47.3
11 (CH2) 43.4
12 (CH) 65
13 (C) 171.2
14 (CH) 117.5
15 (C) 170
16 (CH) 103.1
17 (CH3) 57.5
18 (CH3) 17.6
19 (CH3) 18
20 (CH3) 20.1
16a (CH3) 16