ent-17,19-Diacetoxy-3β,16β-dihydroxykaurane

ent-17,19-Diacetoxy-3β,16β-dihydroxykaurane

Common Name: ent-17,19-Diacetoxy-3β,16β-dihydroxykaurane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H38O6/c1-15(25)29-13-22(4)18-7-10-23-11-17(24(28,12-23)14-30-16(2)26)5-6-19(23)21(18,3)9-8-20(22)27/h17-20,27-28H,5-14H2,1-4H3/t17-,18+,19+,20-,21-,22+,23+,24+/m1/s1

InChIKey: InChIKey=YXKGWGSKTZYVOY-PMJJCCBLSA-N

Formula: C24H38O6

Molecular Weight: 422.55584

Exact Mass: 422.266839

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sacilotto, A., Vichnewski, W., Herz, W. Phytochemistry (1997) 44, 659-61

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) 38.6
2 (CH2) 26
3 (CH) 79.1
4 (C) 42.2
5 (CH) 55.6
6 (CH2) 20.7
7 (CH2) 41.9
8 (C) 44.5
9 (CH) 56.3
10 (C) 38.8
11 (CH2) 18.3
12 (CH2) 27.1
13 (CH) 45.9
14 (CH2) 36.8
15 (CH2) 52.7
16 (C) 79.8
17 (CH2) 64.8
18 (CH3) 22.4
19 (CH2) 65.3
20 (CH3) 17.3
17a (C) 171.1
17b (CH3) 20.8
19a (C) 171.2
19b (CH3) 21.1