Common Name: 3alpha-[(E)-3-(4-Hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane
Synonyms: 3alpha-[(E)-3-(4-Hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane
CAS Registry Number:
InChI: InChI=1S/C39H56O3/c1-34(2)23-24-36(5)19-15-29-38(7)20-16-28-35(3,4)32(42-33(41)14-11-26-9-12-27(40)13-10-26)18-22-37(28,6)30(38)17-21-39(29,8)31(36)25-34/h9-15,28,30-32,40H,16-25H2,1-8H3/b14-11+/t28-,30+,31+,32+,36-,37-,38-,39+/m0/s1
InChIKey: InChIKey=FZPSABBXYRSWMG-UHHDTAQUSA-N
Formula: C39H56O3
Molecular Weight: 572.861597
Exact Mass: 572.422946
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Laphookhieo, S., Karalai, C., Ponglimanont, C., Chantrapromma, K. J Nat Prod (2004) 67, 886-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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) | 36.6 |
2 (CH2) | 22.7 |
3 (CH) | 78.3 |
4 (C) | 36.7 |
5 (CH) | 50.6 |
6 (CH2) | 18.6 |
7 (CH2) | 33.7 |
8 (C) | 39.2 |
9 (CH) | 48.7 |
10 (C) | 37.6 |
11 (CH2) | 17.4 |
12 (CH2) | 35.1 |
13 (C) | 38 |
14 (C) | 158.3 |
15 (CH) | 116.8 |
16 (CH2) | 37.7 |
17 (C) | 35.8 |
18 (CH) | 49.1 |
19 (CH2) | 41.2 |
20 (C) | 28.8 |
21 (CH2) | 33.1 |
22 (CH2) | 33 |
23 (CH3) | 27.9 |
24 (CH3) | 21.4 |
25 (CH3) | 15.2 |
26 (CH3) | 26 |
27 (CH3) | 29.8 |
28 (CH3) | 29.9 |
29 (CH3) | 21.8 |
30 (CH3) | 33.4 |
1' (C) | 167.2 |
2' (CH) | 116.2 |
3' (CH) | 144.1 |
4' (C) | 127.3 |
5' (CH) | 129.9 |
6' (CH) | 115.8 |
7' (C) | 157.6 |
8' (CH) | 115.8 |
9' (CH) | 129.9 |