Spektraris NMR
6b,20-dihydroxy-3-oxolupane
Common Name: 6b,20-dihydroxy-3-oxolupane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-25(2)22(32)12-14-28(6)21-10-9-19-23-18(26(3,4)33)11-13-27(23,5)15-16-29(19,7)30(21,8)17-20(31)24(25)28/h18-21,23-24,31,33H,9-17H2,1-8H3/t18-,19-,20-,21-,23-,24+,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=NUDALCNACCYYLC-MUACLIQTSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dantanarayana A.P., Kumar N.S., P.M..Muthukuda, Wazeer M.I.M. Phytochemistry (1982) 21, 2065
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH2) | 34.4 |
| 3 (C) | 216.8 |
| 4 (C) | 48.9 |
| 5 (CH) | 56.6 |
| 6 (CH) | 69.7 |
| 7 (CH2) | 42.1 |
| 8 (C) | 40.7 |
| 9 (CH) | 50.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 28.7 |
| 13 (CH) | 36.8 |
| 14 (C) | 43.9 |
| 15 (CH2) | 27.7 |
| 16 (CH2) | 35.6 |
| 17 (C) | 44.6 |
| 18 (CH) | 48.5 |
| 19 (CH) | 50.1 |
| 20 (C) | 73.4 |
| 21 (CH2) | 29.1 |
| 22 (CH2) | 40.2 |
| 23 (CH3) | 24.9 |
| 24 (CH3) | 23.7 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 17 |
| 27 (CH3) | 15.2 |
| 28 (CH3) | 19.2 |
| 29 (CH3) | 31.7 |
| 30 (CH3) | 25.2 |
