Spektraris NMR
Kadcoccilactones D
Common Name: Kadcoccilactones D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O7/c1-17-6-10-22(35-26(17)33)18(2)19-7-8-20-21-9-11-23-27(3,4)36-24-14-25(32)37-30(23,24)15-29(21,34-16-31)13-12-28(19,20)5/h6,8,16,18-19,21-24H,7,9-15H2,1-5H3/t18-,19-,21-,22-,23-,24+,28+,29-,30+/m0/s1
InChIKey: InChIKey=DIHUZAOBXDBVJR-LVRUNCTKSA-N
Formula: C30H40O7
Molecular Weight: 512.635542
Exact Mass: 512.277404
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) | 81.9 |
| 2 (CH2) | 35.6 |
| 3 (C) | 175.1 |
| 4 (C) | 84.6 |
| 5 (CH) | 60.6 |
| 6 (CH2) | 27 |
| 7 (CH2) | 25.9 |
| 8 (CH) | 49.6 |
| 9 (C) | 83.6 |
| 10 (C) | 98 |
| 11 (CH2) | 33.2 |
| 12 (CH2) | 36.4 |
| 13 (C) | 47 |
| 14 (C) | 151.2 |
| 15 (CH) | 120.4 |
| 16 (CH2) | 35 |
| 17 (CH) | 54.8 |
| 18 (CH3) | 16.8 |
| 19 (CH2) | 39.8 |
| 20 (CH) | 37.6 |
| 21 (CH3) | 13.5 |
| 22 (CH) | 80.3 |
| 23 (CH2) | 23.5 |
| 24 (CH) | 140.1 |
| 25 (C) | 128 |
| 26 (C) | 166.2 |
| 27 (CH3) | 17.2 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 22 |
| 9a (CH) | 162 |
