Spektraris NMR
Quillaic acid
Common Name: Quillaic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=MQUFAARYGOUYEV-UAWZMHPWSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Tori K., Seo S., Shimaoka A., Tomita Y. Tetrahedron Lett (1974) 0, 4227
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) | 38.1 |
| 2 (CH2) | 26 |
| 3 (CH) | 71.7 |
| 4 (C) | 55.2 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 32.3 |
| 8 (C) | 39.7 |
| 9 (CH) | 46.7 |
| 10 (C) | 35.9 |
| 11 (CH2) | 23.2 |
| 12 (CH) | 122.2 |
| 13 (C) | 142.8 |
| 14 (C) | 41.4 |
| 15 (CH2) | 35.4 |
| 16 (CH) | 74.7 |
| 17 (C) | 48.7 |
| 18 (CH) | 40.5 |
| 19 (CH2) | 46.4 |
| 20 (C) | 30.3 |
| 21 (CH2) | 35.4 |
| 22 (CH2) | 30.3 |
| 23 (CH) | 207 |
| 24 (CH3) | 9 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 27 |
| 28 (C) | 177.2 |
| 29 (CH3) | 32.7 |
| 30 (CH3) | 24.6 |
