Spektraris NMR
(20S)-Protopanaxadiol oxide II
Common Name: (20S)-Protopanaxadiol oxide II
Synonyms: (20S)-Protopanaxadiol oxide II
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22-,23-,24-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=DOAJFZJEGHSYOI-BVGXOPESSA-N
Formula: C30H52O4
Molecular Weight: 476.732616
Exact Mass: 476.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Simirgiotis, M.J., Jimenez, C., Rodriguez, J., Giordano, O.S., Tonn, C.E. J Nat Prod (2003) 66, 1586-92
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) | 38.8 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 78.3 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.6 |
| 8 (C) | 39.6 |
| 9 (CH) | 50.1 |
| 10 (C) | 37 |
| 11 (CH2) | 31.5 |
| 12 (CH) | 70.4 |
| 13 (CH) | 48.7 |
| 14 (C) | 52.1 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 48.8 |
| 18 (CH3) | 17.7 |
| 19 (CH3) | 16.2 |
| 20 (C) | 87.3 |
| 21 (CH3) | 28.8 |
| 22 (CH2) | 31.5 |
| 23 (CH2) | 25 |
| 24 (CH) | 87 |
| 25 (C) | 70 |
| 26 (CH3) | 27.9 |
| 27 (CH3) | 24.1 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 15.3 |
| 30 (CH3) | 15.2 |
