(13S)-Ent-7α-hydroxy-3-cleroden-15-oic acid

(13S)-Ent-7α-hydroxy-3-cleroden-15-oic acid

Common Name: (13S)-Ent-7α-hydroxy-3-cleroden-15-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O3/c1-13(11-18(22)23)9-10-19(4)15(3)16(21)12-20(5)14(2)7-6-8-17(19)20/h7,13,15-17,21H,6,8-12H2,1-5H3,(H,22,23)/t13-,15+,16+,17+,19-,20-/m0/s1

InChIKey: InChIKey=MZIKDNCGMYNPAC-XCCVAVIKSA-N

Formula: C20H34O3

Molecular Weight: 322.482918

Exact Mass: 322.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mambu, L., Grellier, P., Florent, L., Joyeau, R., Ramanitrahasimbola, D., Rasoanaive, P., Frappier, F. Phytochemistry (2006) 67, 444-51

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) 17.8
2 (CH2) 26.7
3 (CH) 119.9
4 (C) 144.9
5 (C) 37.5
6 (CH2) 42.8
7 (CH) 73.9
8 (CH) 39.2
9 (C) 38
10 (CH) 46.5
11 (CH2) 36.6
12 (CH2) 29.5
13 (CH) 30.8
14 (CH2) 41.3
15 (C) 178.6
16 (CH3) 19.9
17 (CH3) 12.4
18 (CH3) 18
19 (CH3) 21.8
20 (CH3) 20.2