Spektraris NMR
Henriol B
Common Name: Henriol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H40O11/c1-6-13(2)26(37)44-12-33(42)20-7-17(20)30(4)21(33)9-16-15(11-36)28(39)45-34(16)22(30)10-32(41)19-8-18(19)31(5)25(32)24(34)23-14(3)27(38)46-35(23,43)29(31)40/h6,17-22,29,36,40-43H,7-12H2,1-5H3/b13-6+/t17-,18-,19+,20+,21-,22+,29-,30+,31+,32+,33+,34+,35+/m1/s1
InChIKey: InChIKey=JDNYCIQWGHMSPJ-ANOWQDLRSA-N
Formula: C35H40O11
Molecular Weight: 636.686841
Exact Mass: 636.257062
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, C.J., Zhang, D.M., Luo, Y.M., Yu, S.S., Li, Y., Lu, Y. Phytochemistry (2008) 69, 2867-74
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) | 10.6 |
| 3 (CH) | 31.1 |
| 4 (C) | 77.9 |
| 5 (C) | 164.6 |
| 6 (C) | 124 |
| 7 (C) | 124 |
| 8 (C) | 104.4 |
| 9 (CH) | 78.8 |
| 10 (C) | 50.4 |
| 11 (C) | 154.1 |
| 12 (C) | 172.2 |
| 13 (CH3) | 10.9 |
| 14 (CH3) | 14.3 |
| 15 (CH2) | 41.4 |
| 1' (CH) | 27.8 |
| 2' (CH2) | 9.4 |
| 3' (CH) | 29.4 |
| 4' (C) | 77.9 |
| 5' (CH) | 53.2 |
| 6' (CH2) | 21.8 |
| 7' (C) | 172.8 |
| 8' (C) | 85.8 |
| 9' (CH) | 51.8 |
| 10' (C) | 45.2 |
| 11' (C) | 128.2 |
| 12' (C) | 169.1 |
| 13' (CH2) | 54.9 |
| 14' (CH3) | 24.5 |
| 15' (CH2) | 70 |
| 1'' (C) | 168 |
| 2'' (C) | 129.6 |
| 3'' (CH) | 137.5 |
| 4'' (CH3) | 14.3 |
| 5'' (CH3) | 12.3 |
