Spektraris NMR
rubianol-d
Common Name: rubianol-d
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O6/c1-17(2)20-13-22(35)26-31(8)10-9-19-25(30(31,7)11-12-32(20,26)16-38-18(3)33)21(34)14-24-28(4,5)27(37)23(36)15-29(19,24)6/h9,17,20-27,34-37H,10-16H2,1-8H3/t20-,21-,22+,23+,24-,25-,26+,27-,29+,30-,31+,32+/m0/s1
InChIKey: InChIKey=JBMKRBYWTDYYDW-AOKBUDSNSA-N
Formula: C32H52O6
Molecular Weight: 532.752897
Exact Mass: 532.376389
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) | 45.9 |
| 2 (CH) | 69.2 |
| 3 (CH) | 83.5 |
| 4 (C) | 39.7 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 33.8 |
| 7 (CH) | 72 |
| 8 (CH) | 49 |
| 9 (C) | 147.4 |
| 10 (C) | 41 |
| 11 (CH) | 117.2 |
| 12 (CH2) | 37.3 |
| 13 (C) | 38.2 |
| 14 (C) | 40.1 |
| 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) | 29.3 |
| 24 (CH3) | 17.6 |
| 25 (CH3) | 23.1 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 16.6 |
| 28 (CH2) | 64.8 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 23.5 |
| 28a (C) | 170.7 |
| 28b (CH3) | 21 |
