Spektraris NMR
Poricoic acid D
Common Name: Poricoic acid D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O6/c1-18(2)21-11-12-23-22(29(21,6)15-14-25(33)34)13-16-30(7)26(24(32)17-31(23,30)8)20(27(35)36)10-9-19(3)28(4,5)37/h12-13,20-21,24,26,32,37H,1,3,9-11,14-17H2,2,4-8H3,(H,33,34)(H,35,36)/t20-,21+,24-,26+,29+,30-,31+/m1/s1
InChIKey: InChIKey=DJHQMAXOQISYNY-MHJHVFNMSA-N
Formula: C31H46O6
Molecular Weight: 514.694517
Exact Mass: 514.329439
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tai, T., Akahori, A., Shingu, T. Phytochemistry (1993) 32, 1239-44
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) | 36.4 |
| 2 (CH2) | 30.2 |
| 3 (C) | 176.6 |
| 4 (C) | 149.2 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 28.6 |
| 7 (CH) | 117.9 |
| 8 (C) | 141.9 |
| 9 (C) | 137.5 |
| 10 (C) | 38.9 |
| 11 (CH) | 120.3 |
| 12 (CH2) | 37 |
| 13 (C) | 45.6 |
| 14 (C) | 49.3 |
| 15 (CH2) | 43.8 |
| 16 (CH) | 76.4 |
| 17 (CH) | 57.5 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 22.3 |
| 20 (CH) | 48.5 |
| 21 (C) | 178.7 |
| 22 (CH2) | 32.2 |
| 23 (CH2) | 30 |
| 24 (C) | 157.8 |
| 25 (C) | 72.6 |
| 26 (CH3) | 30 |
| 27 (CH3) | 30 |
| 28 (CH2) | 112.1 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 24.9 |
| 24a (CH2) | 107 |
