Spektraris NMR
Rubianol-c
Common Name: Rubianol-c
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-18(2)21-15-23(35)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-37-19(3)33)22(34)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,34-36H,10-17H2,1-8H3/t21-,22-,23+,24-,25-,26-,27+,29+,30-,31+,32+/m0/s1
InChIKey: InChIKey=QIFUZQYPSMCPOR-CRBXCGNKSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Morikawa, T., Tao, J., Ando, S., Matsuda, H., Yoshikawa, M. J Nat Prod (2003) 66, 638-45
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Arborinanes; 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) | 37 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 78 |
| 4 (C) | 39.5 |
| 5 (CH) | 49 |
| 6 (CH2) | 33.8 |
| 7 (CH) | 72.2 |
| 8 (CH) | 49.3 |
| 9 (C) | 147.8 |
| 10 (C) | 39.9 |
| 11 (CH) | 117.1 |
| 12 (CH2) | 37.3 |
| 13 (C) | 38.2 |
| 14 (C) | 40 |
| 15 (CH2) | 32.4 |
| 16 (CH2) | 32.6 |
| 17 (C) | 47.3 |
| 18 (CH) | 59.6 |
| 19 (CH) | 69.9 |
| 20 (CH2) | 42.6 |
| 21 (CH) | 57.5 |
| 22 (CH) | 31.1 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 22.1 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 16.6 |
| 28 (CH2) | 64.8 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 23.5 |
| 28a (C) | 170.6 |
| 28b (CH3) | 21 |
