ent-(16S)-18-Acetoxy-7b -hydroxykaur-15-one

ent-(16S)-18-Acetoxy-7b -hydroxykaur-15-one

Common Name: ent-(16S)-18-Acetoxy-7b -hydroxykaur-15-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O4/c1-13-15-6-7-16-21(4)9-5-8-20(3,12-26-14(2)23)17(21)10-18(24)22(16,11-15)19(13)25/h13,15-18,24H,5-12H2,1-4H3/t13-,15-,16+,17-,18-,20-,21+,22-/m1/s1

InChIKey: InChIKey=LULOWBNDQZZTNH-DDTFWELISA-N

Formula: C22H34O4

Molecular Weight: 362.503795

Exact Mass: 362.24571

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) 38.7
2 (CH2) 17.5
3 (CH2) 35.5
4 (C) 36.4
5 (CH) 46.5
6 (CH2) 28.3
7 (CH) 71.3
8 (C) 58.4
9 (CH) 51.8
10 (C) 39.2
11 (CH2) 17.8
12 (CH2) 25.3
13 (CH) 34.4
14 (CH2) 28.4
15 (C) 224.8
16 (CH) 48.4
17 (CH3) 9.98
18 (CH2) 72.3
19 (CH3) 17.48
20 (CH3) 18.2
18a (C) 171.2
18b (CH3) 21.1