Spektraris NMR
Orthosiphol Y
Common Name: Orthosiphol Y
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-8-22(6)10-14(27)18-23(7)11-15(31-12(2)25)19(28)21(4,5)16(23)9-17(32-13(3)26)24(18,30)20(22)29/h8,11,14,16-18,27,30H,1,9-10H2,2-7H3/t14-,16+,17-,18-,22+,23+,24+/m1/s1
InChIKey: InChIKey=HPYXDZBUORPUPP-FBZJSPOMSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Tezuka, Y., Banskota, A.H., Adnyana, I.K., Kadota, S. J Nat Prod (2003) 66, 255-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 144.3 |
| 2 (C) | 142.3 |
| 3 (C) | 196.6 |
| 4 (C) | 44.9 |
| 5 (CH) | 44.7 |
| 6 (CH2) | 22.9 |
| 7 (CH) | 70.8 |
| 8 (C) | 75.4 |
| 9 (CH) | 49 |
| 10 (C) | 40.3 |
| 11 (CH) | 65.6 |
| 12 (CH2) | 43.3 |
| 13 (C) | 48.6 |
| 14 (C) | 209.4 |
| 15 (CH) | 141.2 |
| 16 (CH2) | 115.9 |
| 17 (CH3) | 26.1 |
| 18 (CH3) | 27.6 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 20.2 |
| 2a (C) | 170 |
| 2b (CH3) | 21 |
| 7a (C) | 169.1 |
| 7b (CH3) | 20.5 |
