Spektraris NMR
Cincholic acid
Common Name: Cincholic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)13-14-29(23(32)33)15-16-30(24(34)35)18(19(29)17-25)7-8-21-27(5)11-10-22(31)26(3,4)20(27)9-12-28(21,30)6/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20-,21+,22-,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=NGAUATZUWHZXEK-IGUCIVDZSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Cheng, Z.H., Yu, B.Y., Cordell, G.A., Qiu, S.X. Org Lett (2004) 6, 3163-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.84 |
| 2 (CH2) | 25.69 |
| 3 (CH) | 78.64 |
| 4 (C) | 39.92 |
| 5 (CH) | 56.44 |
| 6 (CH2) | 19.55 |
| 7 (CH2) | 38.2 |
| 8 (C) | 40.59 |
| 9 (CH) | 48.39 |
| 10 (C) | 38.03 |
| 11 (CH2) | 24.18 |
| 12 (CH) | 126.68 |
| 13 (C) | 138.84 |
| 14 (C) | 57.35 |
| 15 (CH2) | 26.14 |
| 16 (CH2) | 25.6 |
| 17 (C) | 48.31 |
| 18 (CH) | 44.99 |
| 19 (CH2) | 44.81 |
| 20 (C) | 31.57 |
| 21 (CH2) | 34.79 |
| 22 (CH2) | 31.57 |
| 23 (CH3) | 28.82 |
| 24 (CH3) | 17.13 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 19.55 |
| 27 (C) | 179.07 |
| 28 (C) | 180.79 |
| 29 (CH3) | 33.83 |
| 30 (CH3) | 24.03 |
