ent-18-Acetoxy-3b,7a-dihydroxykaur-15-en-17-al

ent-18-Acetoxy-3b,7a-dihydroxykaur-15-en-17-al

Common Name: ent-18-Acetoxy-3b,7a-dihydroxykaur-15-en-17-al

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O5/c1-13(24)27-12-21(3)17-8-19(26)22-9-14(15(10-22)11-23)4-5-16(22)20(17,2)7-6-18(21)25/h10-11,14,16-19,25-26H,4-9,12H2,1-3H3/t14-,16+,17+,18-,19+,20+,21-,22-/m1/s1

InChIKey: InChIKey=IIOXAOGAOJDHDX-GMPGATECSA-N

Formula: C22H32O5

Molecular Weight: 376.487318

Exact Mass: 376.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ghoumari, H., Benajiba, M.H., Azmani, A., Garcia-Granados, A., Martinez, A., Parra, A., Rivas, F., Socorro, O. Phytochemistry (2005) 66, 1492-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 38.3
2 (CH2) 26.5
3 (CH) 72
4 (C) 42.1
5 (CH) 37.7
6 (CH2) 26.8
7 (CH) 73.1
8 (C) 54.8
9 (CH) 42.3
10 (C) 39.5
11 (CH2) 18.2
12 (CH2) 25.2
13 (CH) 37.9
14 (CH2) 41.4
15 (CH) 157.8
16 (C) 149.1
17 (CH) 189.6
18 (CH2) 65.8
19 (CH3) 11.8
20 (CH3) 18.1
18a (C) 172
18b (CH3) 21.2