Spektraris NMR
Eriantic acid-A (Erantic acid-A)
Common Name: Eriantic acid-A (Erantic acid-A)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-18-10-13-32(27(36)37)15-14-30(6)21(25(32)19(18)2)8-9-24-28(4)16-22(34)26(35)29(5,17-38-20(3)33)23(28)11-12-31(24,30)7/h8,18-19,22-26,34-35H,9-17H2,1-7H3,(H,36,37)/t18-,19+,22-,23-,24-,25+,26-,28+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=XDJKIFOLUVFUPI-UJUMMWMYSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chusheng H., Zhuangxin Z., Gansun L., Jun Z. Acta Bot Yunnan (1988) 10, 93
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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 (CH2) | 42.4 |
| 2 (CH) | 65.8 |
| 3 (CH) | 73.9 |
| 4 (C) | 43 |
| 5 (CH) | 49 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40 |
| 9 (CH) | 47.9 |
| 10 (C) | 38.2 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 125.3 |
| 13 (C) | 139.1 |
| 14 (C) | 42.4 |
| 15 (CH2) | 28.7 |
| 16 (CH2) | 24.7 |
| 17 (C) | 47.9 |
| 18 (CH) | 53.4 |
| 19 (CH) | 39.4 |
| 20 (CH) | 39.4 |
| 21 (CH2) | 30.1 |
| 22 (CH2) | 37.4 |
| 23 (CH2) | 23.3 |
| 24 (CH3) | 67.5 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 23.7 |
| 28 (C) | 179.7 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 21.3 |
| 23a (C) | 170.7 |
| 23b (CH3) | 20.6 |
