Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C41H42O11/c1-37(2)31(30(36(46)47-5)50-34(44)23-12-8-6-9-13-23)39(4)27-16-18-38(3)28(20-29(42)49-33(38)25-17-19-48-22-25)40(27)21-26(32(37)43)41(39,52-40)51-35(45)24-14-10-7-11-15-24/h6-15,17,19,22,26-28,30-31,33H,16,18,20-21H2,1-5H3/t26?,27-,28-,30-,31+,33+,38-,39-,40-,41?/m1/s1

InChIKey: InChIKey=BKUJYPMNGRPSMC-RAJJWEPVSA-N

Formula: C41H42O11

Molecular Weight: 710.767138

Exact Mass: 710.272712

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nakatani, M., Abdelgaleil, S.A., Kurawaki, J., Okamura, H., Iwagawa, T., Doe, M. J Nat Prod (2001) 64, 1261-5

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) 110
2 (CH) 47.7
3 (C) 211.7
4 (C) 47.9
5 (CH) 46.7
6 (CH) 72.5
7 (C) 170.2
8 (C) 82.1
9 (CH) 62.4
10 (C) 47.3
11 (CH2) 20.3
12 (CH2) 34.6
13 (C) 36.2
14 (CH) 45.2
15 (CH2) 27.8
16 (C) 169.4
17 (CH) 78.1
18 (CH3) 23.3
19 (CH3) 24.7
20 (C) 121
21 (CH) 140.9
22 (CH) 109.9
23 (CH) 143.1
28 (CH3) 25.1
29 (CH3) 21.1
30 (CH2) 33.4
1a (C) 162.5
1b (C) 128.2
1c (CH) 131.2
1d (CH) 132.1
1e (CH) 129.1
1f (CH) 132.1
1g (CH) 131.2
6a (C) 165.3
6b (C) 128.9
6c (CH) 131.2
6d (CH) 132.3
6e (CH) 129.2
6f (CH) 132.3
6g (CH) 131.2
7a (CH3) 52.9