Spektraris NMR
Jaspoline B
Common Name: Jaspoline B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O4/c1-18(22-12-11-20(3)27(33)34-22)9-8-10-19(2)26-21(31)17-24-29(6)16-14-25(32)28(4,5)23(29)13-15-30(24,26)7/h8-12,23-25,32H,13-17H2,1-7H3/b10-8+,18-9+,26-19-/t23-,24-,25-,29-,30-/m0/s1
InChIKey: InChIKey=NRZRHEDVBJZDIG-HAXRPITCSA-N
Formula: C30H40O4
Molecular Weight: 464.637327
Exact Mass: 464.29266
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Tang, S., Pei, Y., Fu, H., Deng, Z., Li, J., Proksch, P., Lin, W. Chem Pharm Bull (2006) 54, 4-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Isomalabaricanes; 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) | 33.4 |
| 2 (CH2) | 29 |
| 3 (CH) | 79.2 |
| 4 (C) | 39.7 |
| 5 (CH) | 46.6 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 39.2 |
| 8 (C) | 45 |
| 9 (CH) | 50.1 |
| 10 (C) | 35.6 |
| 11 (CH2) | 36.7 |
| 12 (C) | 207.9 |
| 13 (C) | 148.6 |
| 14 (C) | 140.3 |
| 15 (CH) | 137.3 |
| 16 (CH) | 130.5 |
| 17 (CH) | 130.7 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 22.3 |
| 20 (C) | 128.1 |
| 21 (CH3) | 12.8 |
| 22 (C) | 158.9 |
| 23 (CH) | 103 |
| 24 (CH) | 139.7 |
| 25 (C) | 124.5 |
| 26 (C) | 163.1 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 15.9 |
| 30 (CH3) | 26 |
