Spektraris NMR
Siphonol A
Common Name: Siphonol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H46O13/c1-8-38(7)20-27(52-34(45)25-15-11-9-12-16-25)31-39(21-41)28(19-29(49-22(2)42)40(31,48)36(38)47)37(5,6)32(51-24(4)44)30(50-23(3)43)33(39)53-35(46)26-17-13-10-14-18-26/h8-18,27-33,41,48H,1,19-21H2,2-7H3/t27-,28+,29-,30+,31-,32-,33+,38+,39+,40+/m1/s1
InChIKey: InChIKey=FGNRGTAPXIKBOC-HZYAOAIPSA-N
Formula: C40H46O13
Molecular Weight: 734.786975
Exact Mass: 734.293842
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Tezuka, Y., Banskota, A.H., Adnyana, I.K., Kadota, S. Chem Pharm Bull (2003) 51, 268-75
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) | 69.8 |
| 2 (CH) | 67.6 |
| 3 (CH) | 75.8 |
| 4 (C) | 37.1 |
| 5 (CH) | 36.6 |
| 6 (CH2) | 21.7 |
| 7 (CH) | 70.7 |
| 8 (C) | 74 |
| 9 (CH) | 43.2 |
| 10 (C) | 48.4 |
| 11 (CH) | 69.5 |
| 12 (CH2) | 38.6 |
| 13 (C) | 47.3 |
| 14 (C) | 207.2 |
| 15 (CH) | 142.3 |
| 16 (CH2) | 112.9 |
| 17 (CH3) | 27.4 |
| 18 (CH3) | 28 |
| 19 (CH3) | 21.7 |
| 20 (CH2) | 61.9 |
| 1a (C) | 164.1 |
| 1b (C) | 130.1 |
| 1c (CH) | 129.6 |
| 1d (CH) | 127.9 |
| 1e (CH) | 132.8 |
| 1f (CH) | 127.9 |
| 1g (CH) | 129.6 |
| 2a (C) | 170.6 |
| 2b (CH3) | 20.7 |
| 3a (C) | 170.4 |
| 3b (CH3) | 20.3 |
| 7a (C) | 169 |
| 7b (CH3) | 21.1 |
| 11a (C) | 166.4 |
| 11b (C) | 130 |
| 11c (CH) | 129.5 |
| 11d (CH) | 127.7 |
| 11e (CH) | 132.4 |
| 11f (CH) | 127.7 |
| 11g (CH) | 129.5 |
