Spektraris NMR
Pluricostatic Acid
Common Name: Pluricostatic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-18-23(32)19(31)16-21-26(18,4)9-8-20-27(21,5)11-12-29(7)22-17-25(2,3)10-14-30(22,24(33)34)15-13-28(20,29)6/h18-23,31-32H,8-17H2,1-7H3,(H,33,34)/t18-,19+,20-,21+,22-,23+,26+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=ZXBJSKCQAZPJBS-QAGFVMRRSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Olmedo, D.A., López-Pérez, J.L., del Olmo, E., Vasquez, Y., San Feliciano, A., Gupta, M.P. Molecules (2008) 13, 2915-24
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 23.3 |
| 2 (CH) | 70.1 |
| 3 (CH) | 74.7 |
| 4 (CH) | 43 |
| 5 (C) | 37.3 |
| 6 (CH2) | 41.3 |
| 7 (CH2) | 17.1 |
| 8 (CH) | 52.8 |
| 9 (C) | 36.3 |
| 10 (CH) | 51.3 |
| 11 (CH2) | 34.7 |
| 12 (CH2) | 30.8 |
| 13 (C) | 38.4 |
| 14 (C) | 37.4 |
| 15 (CH2) | 32.4 |
| 16 (CH2) | 29.4 |
| 17 (C) | 43.9 |
| 18 (CH) | 37.2 |
| 19 (CH2) | 34.6 |
| 20 (C) | 28.2 |
| 21 (CH2) | 32.5 |
| 22 (CH2) | 35.4 |
| 23 (CH3) | 11.3 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 20 |
| 27 (CH3) | 18.3 |
| 28 (C) | 180 |
| 29 (CH3) | 29.8 |
| 30 (CH3) | 35.5 |
