3alpha-[(Z)-3-(4-Hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane

3alpha-[(Z)-3-(4-Hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane

Common Name: 3alpha-[(Z)-3-(4-Hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane

Synonyms: 3alpha-[(Z)-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-SYLDJCCYSA-N

Formula: C39H56O3

Molecular Weight: 572.861597

Exact Mass: 572.422946

NMR Solvent: C+C

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)

Carbon NMR Peaks

Position PPM
1 (CH2) 36.7
2 (CH2) 22.6
3 (CH) 78.3
4 (C) 36.6
5 (CH) 50.2
6 (CH2) 18.5
7 (CH2) 33.7
8 (C) 39.1
9 (CH) 48.7
10 (C) 37.6
11 (CH2) 17.4
12 (CH2) 35.1
13 (C) 37.9
14 (C) 158.5
15 (CH) 116.8
16 (CH2) 37.7
17 (C) 35.8
18 (CH) 48.9
19 (CH2) 41
20 (C) 28.8
21 (CH2) 33.1
22 (CH2) 32.9
23 (CH3) 27.8
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) 166.3
2' (CH) 118.3
3' (CH) 142.8
4' (C) 127.8
5' (CH) 132.1
6' (CH) 115
7' (C) 156.4
8' (CH) 115
9' (CH) 132.1