3beta-[[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyl]oxy]-D:C-friedoolean-7,9(11)-diene-29-ol

3beta-[[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyl]oxy]-D:C-friedoolean-7,9(11)-diene-29-ol

Common Name: 3beta-[[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyl]oxy]-D:C-friedoolean-7,9(11)-diene-29-ol

Synonyms: 3beta-[[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyl]oxy]-D:C-friedoolean-7,9(11)-diene-29-ol

CAS Registry Number:

InChI: InChI=1S/C40H56O5/c1-35(2)31-13-11-28-27(15-18-40(7)32-24-36(3,25-41)19-20-37(32,4)21-22-39(28,40)6)38(31,5)17-16-33(35)45-34(43)14-10-26-9-12-29(42)30(23-26)44-8/h9-12,14-15,23,31-33,41-42H,13,16-22,24-25H2,1-8H3/b14-10+/t31-,32+,33-,36+,37+,38+,39+,40-/m0/s1

InChIKey: InChIKey=HUYSGCQRQSGNOU-TXNQUKCKSA-N

Formula: C40H56O5

Molecular Weight: 616.871143

Exact Mass: 616.412775

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chen, C.R., Chen, H.W., Chang, C.I. Chem Pharm Bull (2008) 56, 385-8

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : D:C-Friedooleananes; 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) 35.2
2 (CH2) 24.3
3 (CH) 80.7
4 (C) 38.1
5 (CH) 47.9
6 (CH2) 23.7
7 (CH) 118
8 (C) 142.1
9 (C) 144.1
10 (C) 36.2
11 (CH) 114.6
12 (CH2) 39.2
13 (C) 39.9
14 (C) 37.3
15 (CH2) 27.4
16 (CH2) 36.7
17 (C) 31.6
18 (CH) 44.4
19 (CH2) 27.1
20 (C) 32.7
21 (CH2) 29.8
22 (CH2) 34.2
23 (CH3) 27.6
24 (CH3) 16.6
25 (CH3) 20.7
26 (CH3) 22
27 (CH3) 19.1
28 (CH3) 31
29 (CH2) 71
30 (CH3) 29.9
3a (C) 167
3b (CH) 116.2
3c (CH) 144.4
3d (C) 127.1
3e (CH) 109.2
3f (C) 146.7
3g (C) 147.8
3h (CH) 114.6
3i (CH) 123
3fa (CH3) 55.9