ent-3β,19-Diacetoxy-12β, 15α-dihydroxykaur-16-ene

ent-3β,19-Diacetoxy-12β, 15α-dihydroxykaur-16-ene

Common Name: ent-3β,19-Diacetoxy-12β, 15α-dihydroxykaur-16-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O6/c1-13-16-11-24(21(13)28)9-6-18-22(4,19(24)10-17(16)27)8-7-20(30-15(3)26)23(18,5)12-29-14(2)25/h16-21,27-28H,1,6-12H2,2-5H3/t16-,17+,18+,19+,20-,21-,22-,23+,24-/m1/s1

InChIKey: InChIKey=PPABMVIJUMVEGI-LMMZDAEQSA-N

Formula: C24H36O6

Molecular Weight: 420.539958

Exact Mass: 420.251189

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) 38.9
2 (CH2) 23.5
3 (CH) 78.9
4 (C) 41.1
5 (CH) 54.9
6 (CH2) 20.6
7 (CH2) 38.4
8 (C) 45.2
9 (CH) 47.7
10 (C) 37.2
11 (CH2) 26
12 (CH) 72
13 (CH) 46.9
14 (CH2) 29.5
15 (CH) 82.4
16 (C) 154.6
17 (CH2) 106.6
18 (CH3) 22.8
19 (CH2) 65.2
20 (CH3) 16
3a (C) 170.9
3b (CH3) 21.1
19a (C) 170.5
19b (CH3) 21.2