3beta-[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane

3beta-[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane

Common Name: 3beta-[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane

Synonyms: 3beta-[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane

CAS Registry Number:

InChI: InChI=1S/C40H58O4/c1-35(2)22-23-37(5)18-14-30-39(7)19-15-29-36(3,4)33(44-34(42)13-11-26-10-12-27(41)28(24-26)43-9)17-21-38(29,6)31(39)16-20-40(30,8)32(37)25-35/h10-14,24,29,31-33,41H,15-23,25H2,1-9H3/b13-11+/t29-,31+,32+,33-,37-,38-,39-,40+/m0/s1

InChIKey: InChIKey=HKZGZNSIWGBZTM-FPSXPNFKSA-N

Formula: C40H58O4

Molecular Weight: 602.887619

Exact Mass: 602.43351

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)

Carbon NMR Peaks

Position PPM
1 (CH2) 37.4
2 (CH2) 23.6
3 (CH) 80.8
4 (C) 37.5
5 (CH) 55.6
6 (CH2) 18.7
7 (CH2) 36.6
8 (C) 39
9 (CH) 48.7
10 (C) 37.9
11 (CH2) 17.5
12 (CH2) 35.1
13 (C) 37.9
14 (C) 158
15 (CH) 116.9
16 (CH2) 37.7
17 (C) 35.8
18 (CH) 49.2
19 (CH2) 41.2
20 (C) 28.8
21 (CH2) 33.7
22 (CH2) 33.1
23 (CH3) 28
24 (CH3) 16.8
25 (CH3) 15.5
26 (CH3) 25.9
27 (CH3) 29.8
28 (CH3) 29.9
29 (CH3) 21.3
30 (CH3) 33.3
1' (C) 167.1
2' (CH) 116.2
3' (CH) 144.3
4' (C) 127.1
5' (CH) 109.2
6' (C) 146.7
7' (C) 147.8
8' (CH) 114.6
9' (CH) 123
6'a (CH3) 55.9