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

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

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

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

Formula: C40H58O4

Molecular Weight: 602.887619

Exact Mass: 602.43351

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) 36.6
2 (CH2) 22.6
3 (CH) 78
4 (C) 36.6
5 (CH) 50.3
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) 158.2
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) 21.3
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) 166.2
2' (CH) 117.7
3' (CH) 143.1
4' (C) 127.4
5' (CH) 112.7
6' (C) 145.9
7' (C) 146.8
8' (CH) 113.8
9' (CH) 125.4
6'a (CH3) 56