Spektraris NMR
Quadrangularic acid K
Common Name: Quadrangularic acid K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-18(8-7-12-25(2,3)35)19-11-13-27(5)20-9-10-21-28(6,24(33)34)22(31)16-23(32)30(21)17-29(20,30)15-14-26(19,27)4/h7,12,18-23,31-32,35H,8-11,13-17H2,1-6H3,(H,33,34)/b12-7+/t18-,19-,20+,21+,22+,23+,26-,27+,28+,29+,30-/m1/s1
InChIKey: InChIKey=FHXLGIIQMAKDCP-BHYMEYOBSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Banskota, A.H., Tezuka, Y., Tran, K.Q., Tanaka, K., Saiki, I., Kadota, S. J Nat Prod (2000) 63, 57-64
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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 (CH) | 72.4 |
| 2 (CH2) | 38.6 |
| 3 (CH) | 70.5 |
| 4 (C) | 55.5 |
| 5 (CH) | 37.6 |
| 6 (CH2) | 23.3 |
| 7 (CH2) | 28.1 |
| 8 (CH) | 48 |
| 9 (C) | 20.7 |
| 10 (C) | 29.8 |
| 11 (CH2) | 26 |
| 12 (CH2) | 33 |
| 13 (C) | 45.4 |
| 14 (C) | 48.9 |
| 15 (CH2) | 35.7 |
| 16 (CH2) | 25.7 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 18.3 |
| 19 (CH2) | 29.6 |
| 20 (CH) | 36.7 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 39.3 |
| 23 (CH) | 124.4 |
| 24 (CH) | 141.3 |
| 25 (C) | 69.6 |
| 26 (CH3) | 30.6 |
| 27 (CH3) | 30 |
| 28 (C) | 180 |
| 29 (CH3) | 9.6 |
| 30 (CH3) | 19.3 |
