Spektraris NMR
Spongiporic acid B
Common Name: Spongiporic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O6/c1-18(2)21-9-10-23-22(28(21,5)14-13-26(33)34)11-15-30(7)25(12-16-29(23,30)6)31(8,37)17-24(32)19(3)20(4)27(35)36/h10-11,20-21,25,37H,1,3,9,12-17H2,2,4-8H3,(H,33,34)(H,35,36)/t20?,21-,25+,28+,29+,30-,31+/m1/s1
InChIKey: InChIKey=GJTWWQXLOACZKG-IPRTXARPSA-N
Formula: C31H44O6
Molecular Weight: 512.678636
Exact Mass: 512.313789
NMR Solvent: CD3OD
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) | 30.7 |
| 2 (CH2) | 36.2 |
| 3 (C) | 177.9 |
| 4 (C) | 149.2 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 28.8 |
| 7 (CH) | 117.7 |
| 8 (C) | 142.1 |
| 9 (C) | 137.6 |
| 10 (C) | 38.4 |
| 11 (CH) | 120 |
| 12 (CH2) | 38.9 |
| 13 (C) | 44.8 |
| 14 (C) | 50.6 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 22.3 |
| 17 (CH) | 53.5 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 21.4 |
| 20 (C) | 75.3 |
| 21 (CH3) | 26 |
| 22 (CH2) | 49.4 |
| 23 (C) | 202.3 |
| 24 (C) | 150.3 |
| 25 (CH) | 41.5 |
| 26 (C) | 177.7 |
| 27 (CH3) | 15.5 |
| 28 (CH2) | 111.4 |
| 29 (CH3) | 21.1 |
| 30 (CH3) | 33.9 |
| 24a (CH2) | 125.5 |
