Spektraris NMR
Santolin C
Common Name: Santolin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H54O8/c1-32(2,43)29-14-17-37(7,45-29)23-12-15-35(5)22(23)9-11-28-33(3)19-26(41)30(34(4,20-38)27(33)13-16-36(28,35)6)44-31(42)21-8-10-24(39)25(40)18-21/h8-10,18,23,26-30,38-41,43H,11-17,19-20H2,1-7H3/t23-,26+,27+,28+,29+,30-,33-,34+,35+,36+,37-/m0/s1
InChIKey: InChIKey=RZOAREWXSNRLMO-XSCLEBPXSA-N
Formula: C37H54O8
Molecular Weight: 626.821268
Exact Mass: 626.381869
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmad, Z., Fatima, I., Mehmood, S., Ifzal, R., Malik, A., Afza, N. Helv Chim Acta (2008) 91, 73-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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 (CH2) | 45.5 |
| 2 (CH) | 69.9 |
| 3 (CH) | 81.9 |
| 4 (C) | 40.5 |
| 5 (CH) | 44.1 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 34.2 |
| 8 (C) | 39.4 |
| 9 (CH) | 42.4 |
| 10 (C) | 40.3 |
| 11 (CH2) | 24.5 |
| 12 (CH) | 123.2 |
| 13 (C) | 145.1 |
| 14 (C) | 40.1 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 41.3 |
| 18 (CH3) | 24.1 |
| 19 (CH3) | 17.6 |
| 20 (C) | 81.2 |
| 21 (CH3) | 26.3 |
| 22 (CH2) | 38.3 |
| 23 (CH2) | 25.4 |
| 24 (CH) | 84.2 |
| 25 (C) | 72.1 |
| 26 (CH3) | 23.1 |
| 27 (CH3) | 24.1 |
| 28 (CH3) | 24 |
| 29 (CH2) | 65.6 |
| 30 (CH3) | 17.5 |
| 1' (C) | 130.9 |
| 2' (CH) | 111.4 |
| 3' (C) | 148.1 |
| 4' (C) | 149.5 |
| 5' (CH) | 123.7 |
| 6' (CH) | 115.7 |
| 7' (C) | 175 |
