Spektraris NMR
Spicachlorantins B
Common Name: Spicachlorantins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H44O14/c1-16-8-9-50-26(41)6-7-27(42)51-14-18-19-12-24-35(3,20-10-23(20)38(24,48)15-52-31(16)43)25-13-37(47)22-11-21(22)36(4)30(37)29(39(19,25)53-33(18)45)28-17(2)32(44)54-40(28,49-5)34(36)46/h8,20-25,34,46-48H,6-7,9-15H2,1-5H3/b16-8+/t20-,21-,22+,23+,24-,25+,34-,35+,36+,37+,38+,39+,40+/m1/s1
InChIKey: InChIKey=NASSYBOEZYWDCR-CTCIEULHSA-N
Formula: C40H44O14
Molecular Weight: 748.770498
Exact Mass: 748.273106
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kim, S.Y., Kashiwada, Y., Kawazoe, K., Murakami, K., Sun, H.D., Li, S.L., Takaishi, Y. Phytochemistry Lett (2009) 2, 110-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Lindenanes; 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) | 29.2 |
| 2 (CH2) | 9.6 |
| 3 (CH) | 29.7 |
| 4 (C) | 77.5 |
| 5 (C) | 164.3 |
| 6 (C) | 122.4 |
| 7 (C) | 150.8 |
| 8 (C) | 105 |
| 9 (CH) | 75.5 |
| 10 (C) | 49.7 |
| 11 (C) | 125.7 |
| 12 (C) | 170.8 |
| 13 (CH3) | 10.7 |
| 14 (CH3) | 14 |
| 15 (CH2) | 40.2 |
| 1' (CH) | 26.4 |
| 2' (CH2) | 10.3 |
| 3' (CH) | 29 |
| 4' (C) | 77.5 |
| 5' (CH) | 55.8 |
| 6' (CH2) | 23.5 |
| 7' (C) | 174 |
| 8' (C) | 85.3 |
| 9' (CH) | 51.2 |
| 10' (C) | 45 |
| 11' (C) | 123.3 |
| 12' (C) | 171.3 |
| 13' (CH2) | 53.7 |
| 14' (CH3) | 24.1 |
| 15' (CH2) | 72.8 |
| 1'' (C) | 167.6 |
| 2'' (C) | 130.5 |
| 3'' (CH) | 135.6 |
| 4'' (CH2) | 60.8 |
| 5'' (CH3) | 12.8 |
| 6'' (C) | 171.8 |
| 7'' (CH2) | 28.8 |
| 8'' (CH2) | 29 |
| 9'' (C) | 171.8 |
| 8a (CH3) | 52.2 |
