ent-1a-Acetoxy-7b,14a-dihydroxy-kaur-16-en-15-on

ent-1a-Acetoxy-7b,14a-dihydroxy-kaur-16-en-15-on

Common Name: ent-1a-Acetoxy-7b,14a-dihydroxy-kaur-16-en-15-on

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O5/c1-11-13-6-7-14-21(5)15(10-16(24)22(14,18(11)25)19(13)26)20(3,4)9-8-17(21)27-12(2)23/h13-17,19,24,26H,1,6-10H2,2-5H3/t13-,14-,15+,16+,17+,19+,21-,22-/m0/s1

InChIKey: InChIKey=LTQYOOFDGCXQJJ-WXGFAXCOSA-N

Formula: C22H32O5

Molecular Weight: 376.487318

Exact Mass: 376.224974

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Minh, P.T., Ngoc, P.H., Quang, D.N., Hashimoto, T., Takaoka, S., Asakawa, Y. Chem Pharm Bull (2003) 51, 590-1

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 (CH) 72.3
2 (CH2) 22.3
3 (CH2) 34.7
4 (C) 32.6
5 (CH) 46.8
6 (CH2) 28.6
7 (CH) 72.9
8 (C) 60
9 (CH) 46.3
10 (C) 42.1
11 (CH2) 16.6
12 (CH2) 30.6
13 (CH) 45.7
14 (CH) 74.4
15 (C) 207.1
16 (C) 148.3
17 (CH2) 116.8
18 (CH3) 33.1
19 (CH3) 21.3
20 (CH3) 18
1a (C) 169.7
1b (CH3) 21