Common Name: 3alpha-[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane
Synonyms: 3alpha-[(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-HYKDSIGMSA-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)
Position | PPM |
---|---|
1 (CH2) | 36.6 |
2 (CH2) | 22.7 |
3 (CH) | 78.2 |
4 (C) | 36.7 |
5 (CH) | 50.5 |
6 (CH2) | 18.6 |
7 (CH2) | 33.6 |
8 (C) | 39.2 |
9 (CH) | 48.6 |
10 (C) | 37.6 |
11 (CH2) | 17.4 |
12 (CH2) | 35.1 |
13 (C) | 38 |
14 (C) | 158.5 |
15 (CH) | 116.2 |
16 (CH2) | 37.7 |
17 (C) | 35.8 |
18 (CH) | 49.2 |
19 (CH2) | 41.2 |
20 (C) | 28.8 |
21 (CH2) | 33 |
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) | 33.3 |
1' (C) | 167 |
2' (CH) | 116.8 |
3' (CH) | 144.4 |
4' (C) | 127.1 |
5' (CH) | 109.1 |
6' (C) | 146.7 |
7' (C) | 147.8 |
8' (CH) | 114.6 |
9' (CH) | 123.2 |
6'a (CH3) | 56 |