Spektraris NMR
Podocarpaside
Common Name: Podocarpaside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O9/c1-18(12-20(37)14-32(2,3)42)28-24(38)15-34(6)23-10-9-22-21(27(23)19(16-36)13-35(28,34)7)8-11-26(33(22,4)5)44-31-30(41)29(40)25(39)17-43-31/h18-19,22-23,25-26,28-31,36,39-42H,8-17H2,1-7H3/t18-,19-,22-,23-,25+,26+,28+,29+,30-,31+,34+,35-/m1/s1
InChIKey: InChIKey=SOJXOLPPPQOURQ-JGCGOTIHSA-N
Formula: C35H56O9
Molecular Weight: 620.815083
Exact Mass: 620.392433
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ali, Z., Khan, S.I., Ferreira, D., Khan, I.A. Org Lett (2006) 8, 5529-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 28.9 |
| 2 (CH2) | 31.7 |
| 3 (CH) | 88.1 |
| 4 (C) | 42 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 42.2 |
| 9 (C) | 133.5 |
| 10 (C) | 135.1 |
| 11 (CH) | 39.3 |
| 12 (CH2) | 32.1 |
| 13 (C) | 46.1 |
| 14 (C) | 43.1 |
| 15 (CH2) | 49.5 |
| 16 (C) | 219.7 |
| 17 (CH) | 61.6 |
| 18 (CH3) | 18.2 |
| 19 (CH2) | 69.1 |
| 20 (CH) | 28.1 |
| 21 (CH3) | 21.2 |
| 22 (CH2) | 51.6 |
| 23 (C) | 212.2 |
| 24 (CH2) | 55.4 |
| 25 (C) | 70.3 |
| 26 (CH3) | 30.1 |
| 27 (CH3) | 30.3 |
| 28 (CH3) | 25.2 |
| 29 (CH3) | 15 |
| 30 (CH3) | 19.1 |
| 1' (CH) | 106.4 |
| 2' (CH) | 72.8 |
| 3' (CH) | 74.1 |
| 4' (CH) | 68.8 |
| 5' (CH2) | 65.7 |
