Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29+,30-,31+,36+,37-,38-,39+/m1/s1

InChIKey: InChIKey=OJEUMHQEAMVIBI-YWDNYDSNSA-N

Formula: C39H54O6

Molecular Weight: 618.84393

Exact Mass: 618.392039

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Pan, H.F., Lundgren, L.N., Andersson, R. Phytochemistry (1994) 37, 795-9

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) 38.5
2 (CH2) 24.4
3 (CH) 80.8
4 (C) 38.8
5 (CH) 56
6 (CH2) 19
7 (CH2) 33.5
8 (C) 40.1
9 (CH) 48.3
10 (C) 37.7
11 (CH2) 24.1
12 (CH) 122.7
13 (C) 145
14 (C) 42.5
15 (CH2) 28.4
16 (CH2) 23.1
17 (C) 46.8
18 (CH) 42.1
19 (CH2) 46.8
20 (C) 31.3
21 (CH2) 34.4
22 (CH2) 33.3
23 (CH3) 28.5
24 (CH3) 17.3
25 (CH3) 15.8
26 (CH3) 17.7
27 (CH3) 26.3
28 (C) 179.3
29 (CH3) 33.4
30 (CH3) 23.9
3a (C) 167.1
3b (CH) 115.8
3c (CH) 145.4
3d (C) 127.3
3e (CH) 115.1
3f (C) 146.5
3g (C) 148.9
3h (CH) 116.3
3i (CH) 122.2