Spektraris NMR
Norquadrangularic acid A
Common Name: Norquadrangularic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O6/c1-15(5-8-21(30)31)16-9-10-24(3)17-6-7-18-25(4,22(32)33)19(28)13-20(29)27(18)14-26(17,27)12-11-23(16,24)2/h15-20,28-29H,5-14H2,1-4H3,(H,30,31)(H,32,33)/t15-,16-,17+,18+,19+,20+,23-,24+,25+,26+,27-/m1/s1
InChIKey: InChIKey=PLBUBUFCNAFBIN-IQPYMKAHSA-N
Formula: C27H42O6
Molecular Weight: 462.61981
Exact Mass: 462.298139
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) | 37.7 |
| 3 (CH) | 70.7 |
| 4 (C) | 55.7 |
| 5 (CH) | 38.8 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 48.1 |
| 9 (C) | 20.8 |
| 10 (C) | 30.3 |
| 11 (CH2) | 26.2 |
| 12 (CH2) | 33.2 |
| 13 (C) | 45.5 |
| 14 (C) | 49.1 |
| 15 (CH2) | 35.8 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 52.5 |
| 18 (CH3) | 18.3 |
| 19 (CH2) | 29.7 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.1 |
| 22 (CH2) | 32.1 |
| 23 (CH2) | 32 |
| 24 (C) | 176.5 |
| 28 (C) | 180 |
| 29 (CH3) | 9.7 |
| 30 (CH3) | 19.4 |
