Spektraris NMR
Siphonol D
Common Name: Siphonol D
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(21-49-22(2)41)28(19-29(44)40(31,48)36(38)47)37(5,6)32(51-24(4)43)30(50-23(3)42)33(39)53-35(46)26-17-13-10-14-18-26/h8-18,27-33,44,48H,1,19-21H2,2-7H3/t27-,28+,29-,30+,31-,32-,33+,38+,39+,40+/m1/s1
InChIKey: InChIKey=JVVJQHQBRIQJKT-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) | 68.5 |
| 2 (CH) | 67 |
| 3 (CH) | 75.7 |
| 4 (C) | 35.8 |
| 5 (CH) | 37 |
| 6 (CH2) | 23.3 |
| 7 (CH) | 68.4 |
| 8 (C) | 77.7 |
| 9 (CH) | 42.5 |
| 10 (C) | 47.1 |
| 11 (CH) | 69.6 |
| 12 (CH2) | 38.2 |
| 13 (C) | 47.8 |
| 14 (C) | 214 |
| 15 (CH) | 141.9 |
| 16 (CH2) | 113.2 |
| 17 (CH3) | 28.1 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 21.9 |
| 20 (CH2) | 63.6 |
| 1a (C) | 164.3 |
| 1b (C) | 130 |
| 1c (CH) | 129.6 |
| 1d (CH) | 127.9 |
| 1e (CH) | 132.5 |
| 1f (CH) | 127.9 |
| 1g (CH) | 129.6 |
| 2a (C) | 169.9 |
| 2b (CH3) | 20.6 |
| 3a (C) | 170.7 |
| 3b (CH3) | 20.4 |
| 11a (C) | 165.7 |
| 11b (C) | 129.9 |
| 11c (CH) | 129.4 |
| 11d (CH) | 127.5 |
| 11e (CH) | 132 |
| 11f (CH) | 127.5 |
| 11g (CH) | 129.4 |
| 20a (C) | 171.4 |
| 20b (CH3) | 21.1 |
