Spektraris NMR
Quadrangularic acidM
Common Name: Quadrangularic acidM
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-17(2)20(31)8-7-18(3)19-11-12-27(5)21-9-10-22-28(6,25(34)35)23(32)15-24(33)30(22)16-29(21,30)14-13-26(19,27)4/h18-24,31-33H,1,7-16H2,2-6H3,(H,34,35)/t18-,19-,20-,21+,22+,23+,24+,26-,27+,28+,29+,30-/m1/s1
InChIKey: InChIKey=ANUPVXRMSNOEBS-XJLZVQPFSA-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) | 72.5 |
| 2 (CH2) | 38.8 |
| 3 (CH) | 70.7 |
| 4 (C) | 55.7 |
| 5 (CH) | 37.7 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 28.4 |
| 8 (CH) | 48.2 |
| 9 (C) | 20.8 |
| 10 (C) | 30.3 |
| 11 (CH2) | 26.2 |
| 12 (CH2) | 33.3 |
| 13 (C) | 45.5 |
| 14 (C) | 49.1 |
| 15 (CH2) | 36.3 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 52.6 |
| 18 (CH3) | 18.4 |
| 19 (CH2) | 29.8 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 32.7 |
| 23 (CH2) | 35.9 |
| 24 (CH) | 75.6 |
| 25 (C) | 149.6 |
| 26 (CH2) | 110 |
| 27 (CH3) | 18.2 |
| 28 (C) | 180.1 |
| 29 (CH3) | 9.8 |
| 30 (CH3) | 19.5 |
