Spektraris NMR
Spongiporic acid A
Common Name: Spongiporic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O5/c1-18(2)22-9-10-25-24(29(22,6)14-13-27(33)34)12-16-30(7)23(11-15-31(25,30)8)19(3)17-26(32)20(4)21(5)28(35)36/h10,12,19,21-23H,1,4,9,11,13-17H2,2-3,5-8H3,(H,33,34)(H,35,36)/t19-,21?,22-,23-,29+,30-,31+/m1/s1
InChIKey: InChIKey=ZJMBUNAZIDNVOV-KUDMQRJLSA-N
Formula: C31H44O5
Molecular Weight: 496.679231
Exact Mass: 496.318875
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Campos Ziegenbein, F., Hanssen, H.P., Konig, W.A. Phytochemistry (2006) 67, 202-11
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) | 31 |
| 2 (CH2) | 37.2 |
| 3 (C) | 177.5 |
| 4 (C) | 150.1 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 29.4 |
| 7 (CH) | 118.8 |
| 8 (C) | 142.7 |
| 9 (C) | 138.4 |
| 10 (C) | 39.5 |
| 11 (CH) | 121.1 |
| 12 (CH2) | 39.6 |
| 13 (C) | 45.4 |
| 14 (C) | 51.3 |
| 15 (CH2) | 32 |
| 16 (CH2) | 29 |
| 17 (CH) | 52.3 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 23.1 |
| 20 (CH) | 34.7 |
| 21 (CH3) | 20.5 |
| 22 (CH2) | 45.7 |
| 23 (C) | 202.3 |
| 24 (C) | 151 |
| 25 (CH) | 42 |
| 26 (C) | 177.4 |
| 27 (CH3) | 17.6 |
| 28 (CH2) | 113 |
| 29 (CH3) | 23 |
| 30 (CH3) | 25.1 |
| 24a (CH2) | 125.2 |
