Spektraris NMR
28-deacetylbelamcandal
Common Name: 28-deacetylbelamcandal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-21(2)9-6-10-22(3)11-7-12-24(20-33)26-15-17-30(28(26)34)27(13-8-18-31)25(23(4)19-32)14-16-29(30,5)35/h7,9,11-12,19,26-28,31,33-35H,3,6,8,10,13-18,20H2,1-2,4-5H3/b11-7+,24-12-,25-23-/t26-,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=XVFORSWJIMCHND-ADWNQYOQSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Takahashi, K., Hoshino, Y., Suzuki, S., Hano, Y., Nomura, T. Phytochemistry (2000) 53, 925-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Iridals; 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 (CH) | 191.3 |
| 2 (C) | 132.8 |
| 3 (CH2) | 61.1 |
| 4 (CH2) | 30.6 |
| 5 (CH2) | 29.2 |
| 6 (CH) | 42.3 |
| 7 (C) | 163.4 |
| 8 (CH2) | 24.1 |
| 9 (CH2) | 38 |
| 10 (C) | 74.1 |
| 11 (C) | 58.7 |
| 12 (CH2) | 34.9 |
| 13 (CH2) | 25.5 |
| 14 (CH) | 48.4 |
| 15 (C) | 137.8 |
| 16 (CH) | 131.3 |
| 17 (CH) | 123.5 |
| 18 (CH) | 136.7 |
| 19 (C) | 145.7 |
| 20 (CH2) | 32.3 |
| 21 (CH2) | 26.8 |
| 22 (CH) | 123.9 |
| 23 (C) | 132.1 |
| 24 (CH3) | 25.7 |
| 25 (CH3) | 11 |
| 26 (CH) | 76.3 |
| 27 (CH3) | 27.9 |
| 28 (CH2) | 65.9 |
| 29 (CH2) | 117 |
| 30 (CH3) | 17.9 |
