Spektraris NMR
Quadrangularic acid L
Common Name: Quadrangularic acid L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O6/c1-17(7-10-21(31)25(2,3)36)18-11-12-27(5)19-8-9-20-28(6,24(34)35)22(32)15-23(33)30(20)16-29(19,30)14-13-26(18,27)4/h17-23,31-33,36H,7-16H2,1-6H3,(H,34,35)/t17-,18-,19+,20+,21-,22+,23+,26-,27+,28+,29+,30-/m1/s1
InChIKey: InChIKey=WWIHQMXKPHUIKR-HYVKQYARSA-N
Formula: C30H50O6
Molecular Weight: 506.715544
Exact Mass: 506.360739
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) | 72.6 |
| 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) | 35.9 |
| 16 (CH2) | 25.8 |
| 17 (CH) | 52.9 |
| 18 (CH3) | 18.4 |
| 19 (CH2) | 29.8 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 34.1 |
| 23 (CH2) | 28.9 |
| 24 (CH) | 79 |
| 25 (C) | 72.7 |
| 26 (CH3) | 26.1 |
| 27 (CH3) | 25.9 |
| 28 (C) | 180 |
| 29 (CH3) | 9.7 |
| 30 (CH3) | 19.5 |
