Spektraris NMR
Quadrangularic acid H
Common Name: Quadrangularic acid H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O7/c1-16(2)19(31)7-6-17(24(34)35)18-10-11-27(4)20-8-9-21-28(5,25(36)37)22(32)14-23(33)30(21)15-29(20,30)13-12-26(18,27)3/h17-18,20-23,32-33H,1,6-15H2,2-5H3,(H,34,35)(H,36,37)/t17-,18-,20+,21+,22+,23+,26-,27+,28+,29+,30-/m1/s1
InChIKey: InChIKey=NLELKFNNSPFKBZ-KIOOGCJKSA-N
Formula: C30H44O7
Molecular Weight: 516.667305
Exact Mass: 516.308704
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) | 72.3 |
| 2 (CH2) | 38.5 |
| 3 (CH) | 70.6 |
| 4 (C) | 55.5 |
| 5 (CH) | 37.5 |
| 6 (CH2) | 23.1 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 47.8 |
| 9 (C) | 20.7 |
| 10 (C) | 30.3 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 30.5 |
| 13 (C) | 45.5 |
| 14 (C) | 48.9 |
| 15 (CH2) | 35.2 |
| 16 (CH2) | 25.6 |
| 17 (CH) | 49.4 |
| 18 (CH3) | 18 |
| 19 (CH2) | 29.6 |
| 20 (CH) | 48.5 |
| 21 (C) | 178.5 |
| 22 (CH2) | 27.6 |
| 23 (CH2) | 35.6 |
| 24 (C) | 201.2 |
| 25 (C) | 144.3 |
| 26 (CH2) | 124.6 |
| 27 (CH3) | 17.5 |
| 28 (C) | 180.1 |
| 29 (CH3) | 9.6 |
| 30 (CH3) | 19.3 |
