Spektraris NMR
Rubiarbonol B
Common Name: Rubiarbonol B
Synonyms: Rubiarbonol B
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21+,22-,23-,24-,25-,27+,28-,29-,30+/m0/s1
InChIKey: InChIKey=PZBGHZIQCYOWLL-YMHFVTRVSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Itokawa H., Qiao Y., Takeya K. Chem Pharm Bull (1990) 38, 1435
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) | 28.8 |
| 3 (CH) | 78 |
| 4 (C) | 39.5 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 33.9 |
| 7 (CH) | 72.2 |
| 8 (CH) | 49.5 |
| 9 (C) | 147.6 |
| 10 (C) | 39.9 |
| 11 (CH) | 117.1 |
| 12 (CH2) | 37.3 |
| 13 (C) | 38.3 |
| 14 (C) | 39.9 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 37.2 |
| 17 (C) | 43.8 |
| 18 (CH) | 59.3 |
| 19 (CH) | 70.4 |
| 20 (CH2) | 41.9 |
| 21 (CH) | 57.8 |
| 22 (CH) | 30.7 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 22.1 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 17 |
| 28 (CH3) | 16 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 23.2 |
