Spektraris NMR
Elfvingic acid A
Common Name: Elfvingic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17,19,21,25,34,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10-/t15?,17-,19+,21-,25+,28+,29+,30+/m1/s1
InChIKey: InChIKey=PEGUBVVGNSOOBD-SPQZLIEPSA-N
Formula: C30H40O8
Molecular Weight: 528.634946
Exact Mass: 528.272318
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) | 35.6 |
| 2 (CH2) | 34.6 |
| 3 (C) | 215.2 |
| 4 (C) | 47.2 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 37.9 |
| 7 (C) | 202.7 |
| 8 (C) | 152 |
| 9 (C) | 149.8 |
| 10 (C) | 39.7 |
| 11 (C) | 203.8 |
| 12 (CH) | 79.8 |
| 13 (C) | 54.1 |
| 14 (C) | 51 |
| 15 (CH) | 76.8 |
| 16 (CH2) | 36.5 |
| 17 (CH) | 48.1 |
| 18 (CH3) | 18.8 |
| 19 (CH3) | 18.8 |
| 20 (C) | 157.5 |
| 21 (CH3) | 21.2 |
| 22 (CH) | 125.3 |
| 23 (C) | 198.9 |
| 24 (CH2) | 48.7 |
| 25 (CH) | 36.2 |
| 26 (C) | 178.5 |
| 27 (CH3) | 18.2 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 20.6 |
| 30 (CH3) | 27.8 |
