Common Name: Kadcoccilactones C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O7/c1-17-6-7-20(35-25(17)33)18(2)19-10-11-28(16-31)22-9-8-21-26(3,4)36-23-14-24(32)37-30(21,23)15-29(22,34)13-12-27(19,28)5/h6,18-23,31,34H,7-16H2,1-5H3/t18-,19-,20-,21-,22-,23+,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=HHTXECUEDFYGHX-NAQFNSOCSA-N
Formula: C30H44O7
Molecular Weight: 516.667305
Exact Mass: 516.308704
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gao, X.M., Pu, J.X., Huang, S.X., Lu, Y., Lou, L.G., Li, R.T., Xiao, W.L., Chang, Y., Sun, H.D. J Nat Prod (2008) 71, 1182-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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 (CH) | 82 |
2 (CH2) | 36.7 |
3 (C) | 175.6 |
4 (C) | 85 |
5 (CH) | 59.5 |
6 (CH2) | 28.9 |
7 (CH2) | 26 |
8 (CH) | 53.3 |
9 (C) | 73.2 |
10 (C) | 99.9 |
11 (CH2) | 39.3 |
12 (CH2) | 30 |
13 (C) | 47.1 |
14 (C) | 53.5 |
15 (CH2) | 30.8 |
16 (CH2) | 28.2 |
17 (CH) | 46.3 |
18 (CH3) | 17.2 |
19 (CH2) | 47.7 |
20 (CH) | 39.4 |
21 (CH3) | 13.6 |
22 (CH) | 80.4 |
23 (CH2) | 23.6 |
24 (CH) | 140.1 |
25 (C) | 128 |
26 (C) | 166.3 |
27 (CH3) | 17.2 |
28 (CH3) | 29.7 |
29 (CH3) | 23.2 |
30 (CH2) | 64.1 |