Spektraris NMR
Decipinin A
Common Name: Decipinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H36O12/c1-5-6-7-8-9-10-11-12-26(36)41-29-21-17-23(33)30(4,43-20(3)32)28(38)22(21)18-39-31(29)24(14-13-19(2)42-31)40-27(37)16-15-25(34)35/h7-12,17-19,24,29H,5-6,13-16H2,1-4H3,(H,34,35)/b8-7+,10-9+,12-11+/t19-,24+,29+,30?,31+/m0/s1
InChIKey: InChIKey=BNUGSCJDRYIKLJ-MDKVVJQRSA-N
Formula: C31H36O12
Molecular Weight: 600.611539
Exact Mass: 600.220677
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Che, Y., Gloer, J.B., Koster, B., Malloch, D. J Nat Prod (2002) 65, 916-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 |
|---|---|
| 2 (CH) | 69.1 |
| 3 (CH2) | 26.2 |
| 4 (CH2) | 23.3 |
| 5 (CH) | 65.2 |
| 6 (C) | 101.1 |
| 8 (CH) | 154.1 |
| 9 (C) | 110.8 |
| 10 (C) | 192.1 |
| 11 (C) | 84.8 |
| 12 (C) | 194 |
| 13 (CH) | 122.3 |
| 14 (C) | 141.9 |
| 15 (CH) | 64.3 |
| 16 (CH3) | 21.2 |
| 2a (CH3) | 170.5 |
| 5a (C) | 28.7 |
| 5b (CH2) | 28.9 |
| 5c (CH2) | 22.2 |
| 5d (C) | 177.2 |
| 11a (C) | 169.7 |
| 11b (CH3) | 19.9 |
| 15a (C) | 165.1 |
| 15b (CH) | 117.5 |
| 15c (CH) | 147.2 |
| 15d (CH) | 127.4 |
| 15e (CH) | 142.8 |
| 15f (CH) | 129.9 |
| 15g (CH) | 141.4 |
| 15h (CH2) | 35 |
| 15i (CH2) | 22.1 |
| 15j (CH3) | 13.6 |
