3alpha,29-Bis(benzoyloxy)-D:C-friedo-5alpha-oleana-8-ene-7-one

3alpha,29-Bis(benzoyloxy)-D:C-friedo-5alpha-oleana-8-ene-7-one

Common Name: 3alpha,29-Bis(benzoyloxy)-D:C-friedo-5alpha-oleana-8-ene-7-one

Synonyms: 3alpha,29-Bis(benzoyloxy)-D:C-friedo-5alpha-oleana-8-ene-7-one

CAS Registry Number:

InChI: InChI=1S/C44H56O5/c1-39(2)33-26-32(45)36-31(42(33,5)20-19-35(39)49-38(47)30-16-12-9-13-17-30)18-21-43(6)34-27-40(3,22-23-41(34,4)24-25-44(36,43)7)28-48-37(46)29-14-10-8-11-15-29/h8-17,33-35H,18-28H2,1-7H3/t33-,34+,35+,40+,41+,42+,43-,44+/m0/s1

InChIKey: InChIKey=PCDFVHKVAZIRJF-MVVCGLKCSA-N

Formula: C44H56O5

Molecular Weight: 664.914086

Exact Mass: 664.412775

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Wu, T., Cheng, X.M., Bligh, S.W.A., Chou, G.X., Wang, Z.T., Bashall, A., Branford-White, C. Helv Chim Acta (2005) 88, 2617-23

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Multifloranes; 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) 29.8
2 (CH2) 23.03
3 (CH) 77.78
4 (C) 37.1
5 (CH) 43.36
6 (CH2) 36.44
7 (C) 198.37
8 (C) 142.87
9 (C) 163.39
10 (C) 39.33
11 (CH2) 22.2
12 (CH2) 29.98
13 (C) 38.23
14 (C) 39.23
15 (CH2) 29.8
16 (CH2) 35.94
17 (C) 31.3
18 (CH) 41.45
19 (CH2) 30.47
20 (C) 32.52
21 (CH2) 28.39
22 (CH2) 38.66
23 (CH3) 27.11
24 (CH3) 21.5
25 (CH3) 18.13
26 (CH3) 27.03
27 (CH3) 18.25
28 (CH3) 30.62
29 (CH2) 75.19
30 (CH3) 26.45
3a (C) 165.81
3b (C) 130.72
3c (CH) 129.58
3d (CH) 128.6
3e (CH) 133.04
3f (CH) 128.6
3g (CH) 129.58
29a (C) 166.93
29b (C) 130.77
29c (CH) 129.6
29d (CH) 128.49
29e (CH) 132.92
29f (CH) 128.49
29g (CH) 129.6