Spektraris NMR
Daedaleanic Acid C
Common Name: Daedaleanic Acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O8/c1-18(15-24(35)19(2)20(3)30(40)41)21-11-14-33(7)22-9-10-25-31(4,5)27(42-29(39)17-28(37)38)12-13-32(25,6)23(22)16-26(36)34(21,33)8/h18-21,25-27,36H,9-17H2,1-8H3,(H,37,38)(H,40,41)/t18-,19-,20?,21-,25+,26-,27-,32-,33+,34+/m1/s1
InChIKey: InChIKey=TVQUBLZAXIBVSC-NJWWHQOPSA-N
Formula: C34H52O8
Molecular Weight: 588.773179
Exact Mass: 588.366219
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Kouso, K., Takahashi, J., Matsuda, A., Okazoe, M., Umeyama, A., Arihara, S. J Nat Prod (2005) 68, 911-4
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) | 31.3 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 79 |
| 4 (C) | 37 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 25.9 |
| 8 (C) | 134 |
| 9 (C) | 136.5 |
| 10 (C) | 37 |
| 11 (CH2) | 34.8 |
| 12 (CH) | 71.8 |
| 13 (C) | 52.3 |
| 14 (C) | 49.7 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 50.7 |
| 18 (CH3) | 10.8 |
| 19 (CH3) | 19 |
| 20 (CH) | 30.2 |
| 21 (CH3) | 22.9 |
| 22 (CH2) | 48.5 |
| 23 (C) | 213.4 |
| 24 (CH) | 49.7 |
| 25 (CH) | 41.9 |
| 26 (C) | 178.4 |
| 27 (CH3) | 14.8 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 24.1 |
| 3a (C) | 167.7 |
| 3b (CH2) | 43 |
| 3c (C) | 166.9 |
| 24a (CH3) | 13.6 |
