Spektraris NMR
Rubianol-a
Common Name: Rubianol-a
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-16(2)18-12-20(33)24-29(7)9-8-17-23(28(29,6)10-11-30(18,24)15-31)19(32)13-22-26(3,4)25(35)21(34)14-27(17,22)5/h8,16,18-24,31-34H,9-15H2,1-7H3/t18-,19-,20+,21+,22-,23-,24+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=ZAGSMKWHSPITNU-AZAFKCFLSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
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) | 48.1 |
| 2 (CH) | 70.4 |
| 3 (C) | 216 |
| 4 (C) | 47.4 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 34.1 |
| 7 (CH) | 71.3 |
| 8 (CH) | 49.1 |
| 9 (C) | 145.7 |
| 10 (C) | 40.3 |
| 11 (CH) | 118.5 |
| 12 (CH2) | 37.6 |
| 13 (C) | 38.4 |
| 14 (C) | 40.3 |
| 15 (CH2) | 33.1 |
| 16 (CH2) | 33.4 |
| 17 (C) | 49 |
| 18 (CH) | 60 |
| 19 (CH) | 70.7 |
| 20 (CH2) | 43.5 |
| 21 (CH) | 58.1 |
| 22 (CH) | 30.8 |
| 23 (CH3) | 25 |
| 24 (CH3) | 22 |
| 25 (CH3) | 22.2 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 16.8 |
| 28 (CH2) | 62.9 |
| 29 (CH3) | 23.4 |
| 30 (CH3) | 23.6 |
