ent-18-Acetoxy-14a -hydroxykaur-16-en-15-one

ent-18-Acetoxy-14a -hydroxykaur-16-en-15-one

Common Name: ent-18-Acetoxy-14a -hydroxykaur-16-en-15-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O4/c1-13-15-6-7-17-21(4)10-5-9-20(3,12-26-14(2)23)16(21)8-11-22(17,18(13)24)19(15)25/h15-17,19,25H,1,5-12H2,2-4H3/t15-,16+,17-,19+,20+,21+,22+/m0/s1

InChIKey: InChIKey=VQPFPTKSJITEAS-PQIPJIQJSA-N

Formula: C22H32O4

Molecular Weight: 360.487914

Exact Mass: 360.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Giang, P.M., Son, P.T., Lee, J.J., Otsuka, H. Chem Pharm Bull (2004) 52, 879-82

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) 39.1
2 (CH2) 17.8
3 (CH2) 35.5
4 (C) 36.5
5 (CH) 49.2
6 (CH2) 17.8
7 (CH2) 25
8 (C) 58.8
9 (CH) 54.9
10 (C) 39.9
11 (CH2) 18.15
12 (CH2) 32.3
13 (CH) 46.5
14 (CH) 73.6
15 (C) 208.8
16 (C) 146.9
17 (CH2) 117.2
18 (CH2) 72.6
19 (CH3) 17.5
20 (CH3) 18.2
18a (C) 171.3
18b (CH3) 21.1