Spektraris NMR
7 ,8 -Dihydroxuxuarine D b
Common Name: 7 ,8 -Dihydroxuxuarine D b
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C56H72O8/c1-29-23-39-47(4,28-36(29)58)15-19-51(8)38-14-13-32-33(48(38,5)16-20-52(39,51)9)26-42(59)56(62)55(32,12)64-45-31(3)43-34(25-37(45)63-56)49(6)17-21-53(10)40-24-30(2)44(60)46(61)50(40,7)18-22-54(53,11)41(49)27-35(43)57/h13-14,25-26,29-30,39-41,46,61-62H,15-24,27-28H2,1-12H3/t29-,30-,39-,40-,41+,46-,47+,48+,49+,50-,51-,52+,53+,54-,55-,56+/m1/s1
InChIKey: InChIKey=LPLKITYJSHNVOP-YSXYYOLLSA-N
Formula: C56H72O8
Molecular Weight: 873.168184
Exact Mass: 872.522719
NMR Solvent: c
MHz:
Calibration:
NMR references: 13C - Shirota, O., Sekita, S., Satake, M., Morita, H., Takeya, K., Itokawa, H. Chem Pharm Bull (2004) 52, 739-46
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 115 |
| 2 (C) | 189.4 |
| 3 (C) | 91.1 |
| 4 (C) | 76.9 |
| 5 (C) | 132.2 |
| 6 (CH) | 128.5 |
| 7 (CH) | 117.2 |
| 8 (C) | 163.3 |
| 9 (C) | 43.4 |
| 10 (C) | 172.9 |
| 11 (CH2) | 33.1 |
| 12 (CH2) | 29.8 |
| 13 (C) | 39.9 |
| 14 (C) | 44 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 35.4 |
| 17 (C) | 38.2 |
| 18 (CH) | 43.6 |
| 19 (CH2) | 31.9 |
| 20 (CH) | 41.9 |
| 21 (C) | 213.6 |
| 22 (CH2) | 52.4 |
| 23 (CH3) | 24.6 |
| 25 (CH3) | 39.7 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 19.7 |
| 28 (CH3) | 32.5 |
| 30 (CH3) | 15.1 |
| 1' (CH) | 108.8 |
| 2' (C) | 145.3 |
| 3' (C) | 137.4 |
| 4' (C) | 129.7 |
| 5' (C) | 125.3 |
| 6' (C) | 200 |
| 7' (CH2) | 37.4 |
| 8' (CH) | 41.8 |
| 9' (C) | 37 |
| 10' (C) | 152.2 |
| 11' (CH2) | 33.2 |
| 12' (CH2) | 29.5 |
| 13' (C) | 39.2 |
| 14' (C) | 39.8 |
| 15' (CH2) | 27.7 |
| 16' (CH2) | 29.3 |
| 17' (C) | 45 |
| 18' (CH) | 45.3 |
| 19' (CH2) | 31.7 |
| 20' (CH) | 41.3 |
| 21' (C) | 214 |
| 22' (CH) | 77.2 |
| 23' (CH3) | 13.3 |
| 25' (CH3) | 26.5 |
| 26' (CH3) | 15.1 |
| 27' (CH3) | 19 |
| 28' (CH3) | 25.1 |
| 30' (CH3) | 14.8 |
