Spektraris NMR
Ananosic acid B
Common Name: Ananosic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O4/c1-19(10-9-11-20(2)29(34)35)23-14-16-32(8)24-12-13-26-30(5,6)27(36-22(4)33)15-17-31(26,7)25(24)18-21(3)28(23)32/h11-12,19,23,25-28H,3,9-10,13-18H2,1-2,4-8H3,(H,34,35)/b20-11-/t19-,23-,25?,26+,27-,28?,31-,32+/m1/s1
InChIKey: InChIKey=BBMSARKIPIKXRC-IBCWYJJWSA-N
Formula: C32H48O4
Molecular Weight: 496.722325
Exact Mass: 496.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, Y.G., Hai, L.N., Liao, X.R., Qin, G.W., Xie, Y.Y., Halaweish, F. J Nat Prod (2004) 67, 875-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 30.3 |
| 2 (CH2) | 22.6 |
| 3 (CH) | 78.8 |
| 4 (C) | 36.1 |
| 5 (CH) | 40.3 |
| 6 (CH2) | 22.6 |
| 7 (CH) | 114.5 |
| 8 (C) | 151.2 |
| 9 (CH) | 51 |
| 10 (C) | 34 |
| 11 (CH2) | 30.9 |
| 12 (C) | 151 |
| 13 (CH) | 50.6 |
| 14 (C) | 44 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 24.6 |
| 17 (CH) | 47.8 |
| 18 (CH2) | 111.3 |
| 19 (CH3) | 23.4 |
| 20 (CH) | 31 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 33.2 |
| 23 (CH2) | 26.7 |
| 24 (CH) | 146.6 |
| 25 (C) | 126.3 |
| 26 (C) | 173 |
| 27 (CH3) | 20.6 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 22.5 |
| 30 (CH3) | 23.8 |
| 3a (C) | 170.7 |
| 3b (CH3) | 21.3 |
