Spektraris NMR
3b-Hydroxylup-13(18)-ene
Common Name: 3b-Hydroxylup-13(18)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3/t20-,22-,23+,24-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=WUUVTRCQVWJPDJ-LCTNEHIHSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bhan S., Kumar R., Kalla A.K., Dhar K.L. Phytochemistry (1988) 27, 539
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) | 38.8 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 79.3 |
| 4 (C) | 39 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34.5 |
| 8 (C) | 41 |
| 9 (CH) | 50.8 |
| 10 (C) | 37 |
| 11 (CH2) | 21 |
| 12 (CH2) | 25 |
| 13 (C) | 134.5 |
| 14 (C) | 45.2 |
| 15 (CH2) | 28 |
| 16 (CH2) | 36.5 |
| 17 (C) | 47 |
| 18 (C) | 133 |
| 19 (CH) | 44.8 |
| 20 (CH) | 26.4 |
| 21 (CH2) | 32.2 |
| 22 (CH2) | 39.2 |
| 23 (CH3) | 33 |
| 24 (CH3) | 15 |
| 25 (CH3) | 16 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 21.7 |
| 28 (CH3) | 24 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 23.5 |
