Kadcoccilactones C

Kadcoccilactones C

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)

Carbon NMR Peaks

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