Spektraris NMR
Elfvingic acid E
Common Name: Elfvingic acid E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O9/c1-15(24(36)37)9-16(32)13-27(4,38)19-11-22(35)29(6)28(19,5)21(34)10-18-25(2)8-7-20(33)26(3,14-31)17(25)12-23-30(18,29)39-23/h10-11,15,17,20,22-23,31,33,35,38H,7-9,12-14H2,1-6H3,(H,36,37)/t15?,17-,20+,22-,23+,25+,26+,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=KCQYWDVUFDEZQI-WWXWNECVSA-N
Formula: C30H42O9
Molecular Weight: 546.650233
Exact Mass: 546.282883
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Nishimura, N., Bando, S., Arihara, S., Matsumura, E., Katayama, S. J Nat Prod (2002) 65, 548-52
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 37.2 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 71.3 |
| 4 (C) | 44.3 |
| 5 (CH) | 41.4 |
| 6 (CH2) | 21.5 |
| 7 (CH) | 58.5 |
| 8 (C) | 63.5 |
| 9 (C) | 165.6 |
| 10 (C) | 38.7 |
| 11 (CH) | 125.8 |
| 12 (C) | 204.3 |
| 13 (C) | 63.9 |
| 14 (C) | 48 |
| 15 (CH) | 79.8 |
| 16 (CH) | 127.2 |
| 17 (C) | 158.9 |
| 18 (CH3) | 28.3 |
| 19 (CH3) | 22.6 |
| 20 (C) | 72.4 |
| 21 (CH3) | 29.9 |
| 22 (CH2) | 55 |
| 23 (C) | 208.1 |
| 24 (CH2) | 49.1 |
| 25 (CH) | 35.9 |
| 26 (CH3) | 18.1 |
| 27 (C) | 178.4 |
| 28 (CH2) | 65.3 |
| 29 (CH3) | 13 |
| 30 (CH3) | 25.5 |
