(5alpha,8alpha,9S,10beta)-Cleroda-3,13-diene-15,16-diol

(5alpha,8alpha,9S,10beta)-Cleroda-3,13-diene-15,16-diol

Common Name: (5alpha,8alpha,9S,10beta)-Cleroda-3,13-diene-15,16-diol

Synonyms: (5alpha,8alpha,9S,10beta)-Cleroda-3,13-diene-15,16-diol

CAS Registry Number:

InChI: InChI=1S/C20H34O2/c1-15-6-5-7-18-19(15,3)11-8-16(2)20(18,4)12-9-17(14-22)10-13-21/h6,10,16,18,21-22H,5,7-9,11-14H2,1-4H3/b17-10-/t16-,18+,19+,20+/m1/s1

InChIKey: InChIKey=MLAUJHUBSWZGEO-MPZBOKFQSA-N

Formula: C20H34O2

Molecular Weight: 306.483513

Exact Mass: 306.25588

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rojatkar, S.R., Nagasampagi, B.A. Phytochemistry (1194) 37, 505-7

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) 18.2
2 (CH2) 26.8
3 (CH) 120.3
4 (C) 144.7
5 (C) 38.1
6 (CH2) 37
7 (CH2) 27.8
8 (CH) 36.4
9 (C) 38.6
10 (CH) 46.4
11 (CH2) 36.9
12 (CH2) 29
13 (C) 144.7
14 (CH) 125.9
15 (CH2) 61
16 (CH2) 58.5
17 (CH3) 15.9
18 (CH3) 18.3
19 (CH3) 19.9
20 (CH3) 17.8