Spektraris NMR
Rubianol-e
Common Name: Rubianol-e
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O7/c1-18(2)22-14-24(38)28-33(9)11-10-21-27(32(33,8)12-13-34(22,28)17-40-19(3)35)23(37)15-26-30(5,6)29(39)25(41-20(4)36)16-31(21,26)7/h10,18,22-29,37-39H,11-17H2,1-9H3/t22-,23-,24+,25+,26-,27-,28+,29-,31+,32-,33+,34+/m0/s1
InChIKey: InChIKey=OLOLVKCRAVUVOL-GGGLRNFQSA-N
Formula: C34H54O7
Molecular Weight: 574.789656
Exact Mass: 574.386954
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) | 42.5 |
| 2 (CH) | 74 |
| 3 (CH) | 79.4 |
| 4 (C) | 40.2 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 33.7 |
| 7 (CH) | 71.9 |
| 8 (CH) | 48.9 |
| 9 (C) | 146.8 |
| 10 (C) | 41 |
| 11 (CH) | 117.4 |
| 12 (CH2) | 37.2 |
| 13 (C) | 38.2 |
| 14 (C) | 40.1 |
| 15 (CH2) | 32.3 |
| 16 (CH2) | 32.5 |
| 17 (C) | 47.3 |
| 18 (CH) | 59.5 |
| 19 (CH) | 69.9 |
| 20 (CH2) | 42.6 |
| 21 (CH) | 57.5 |
| 22 (CH) | 31.1 |
| 23 (CH3) | 29 |
| 24 (CH3) | 17.4 |
| 25 (CH3) | 22.7 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 16.6 |
| 28 (CH2) | 64.8 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 23.5 |
| 2a (C) | 170.7 |
| 2b (CH3) | 21 |
| 28a (C) | 170.8 |
| 28b (CH3) | 21.4 |
