Common Name: Methyl ent-18-hydroxytrachyloban-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O3/c1-18-6-4-7-21(12-22,17(23)24-3)15(18)5-8-20-10-14-13(9-16(18)20)19(14,2)11-20/h13-16,22H,4-12H2,1-3H3/t13-,14-,15+,16+,18-,19+,20+,21+/m1/s1
InChIKey: InChIKey=IZOHNEIPDGSJPN-YOBHSKELSA-N
Formula: C21H32O3
Molecular Weight: 332.477773
Exact Mass: 332.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Leong, Y.W., Harrison, L.J. Phytochemistry (1997) 45, 1457-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trachylobanes; 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)
Position | PPM |
---|---|
1 (CH2) | 39 |
2 (CH2) | 18.2 |
3 (CH2) | 32.2 |
4 (C) | 49.8 |
5 (CH) | 51.6 |
6 (CH2) | 21.7 |
7 (CH2) | 38.9 |
8 (C) | 40.5 |
9 (CH) | 52.7 |
10 (C) | 38.4 |
11 (CH2) | 19.8 |
12 (CH) | 20.5 |
13 (CH) | 24.2 |
14 (CH2) | 33.1 |
15 (CH2) | 50.3 |
16 (C) | 22.4 |
17 (CH3) | 20.5 |
18 (CH2) | 71.3 |
19 (C) | 176.1 |
20 (CH3) | 12.6 |
19a (CH3) | 51.4 |