Spektraris NMR
Kansuinin F
Common Name: Kansuinin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H48O14/c1-21-20-42(56-27(7)46)30(31(21)50-24(4)43)32(51-25(5)44)22(2)33(52-26(6)45)35(54-39(48)28-16-12-10-13-17-28)38(55-40(49)29-18-14-11-15-19-29)41(8,9)37-34(53-37)23(3)36(42)47/h10-19,21,23,30-35,37-38H,2,20H2,1,3-9H3/t21-,23+,30+,31-,32-,33-,34-,35+,37-,38+,42+/m0/s1
InChIKey: InChIKey=PJXPCKIXYVFTNT-UFHYMIFESA-N
Formula: C42H48O14
Molecular Weight: 776.823733
Exact Mass: 776.304406
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pan, Q., Ip, F.C., Ip, N.Y., Zhu, H.X., Min, Z.D. J Nat Prod (2004) 67, 1548-51
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatrophanes; 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) | 45.9 |
| 2 (CH) | 38.7 |
| 3 (CH) | 75.8 |
| 4 (CH) | 54.6 |
| 5 (CH) | 68.2 |
| 6 (C) | 143.4 |
| 7 (CH) | 70.9 |
| 8 (CH) | 69.5 |
| 9 (CH) | 79.3 |
| 10 (C) | 38.9 |
| 11 (CH) | 61.8 |
| 12 (CH) | 57.8 |
| 13 (CH) | 43.7 |
| 14 (C) | 216.2 |
| 15 (C) | 93.3 |
| 16 (CH3) | 13.3 |
| 17 (CH2) | 111.6 |
| 18 (CH3) | 18 |
| 19 (CH3) | 25.6 |
| 20 (CH3) | 17.5 |
| 3a (C) | 169.7 |
| 3b (CH3) | 21.3 |
| 5a (C) | 168.7 |
| 5b (CH3) | 20.1 |
| 7a (C) | 169.9 |
| 7b (CH3) | 21 |
| 8a (C) | 164.6 |
| 8b (C) | 129.7 |
| 8c (CH) | 130 |
| 8d (CH) | 128.4 |
| 8e (CH) | 133.7 |
| 8f (CH) | 128.4 |
| 8g (CH) | 130 |
| 9a (C) | 164.9 |
| 9b (C) | 129.5 |
| 9c (CH) | 130 |
| 9d (CH) | 128.7 |
| 9e (CH) | 133.7 |
| 9f (CH) | 128.7 |
| 9g (CH) | 130 |
| 15a (C) | 169.7 |
| 15b (CH3) | 21.1 |
