Spektraris NMR
Daedaleanic Acid A
Common Name: Daedaleanic Acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O4/c1-18(2)20(5)9-11-24(29(34)35)28-27(33)17-31(8)25-13-10-21(6)22(12-14-26(32)19(3)4)23(25)15-16-30(28,31)7/h10,13,18-19,24,27-28,33H,5,9,11-12,14-17H2,1-4,6-8H3,(H,34,35)/t24-,27-,28+,30-,31+/m1/s1
InChIKey: InChIKey=MFOKWUZMHJXWFI-ZKBPDDLLSA-N
Formula: C31H46O4
Molecular Weight: 482.695707
Exact Mass: 482.33961
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) | 23.8 |
| 2 (CH2) | 39.1 |
| 3 (C) | 213.3 |
| 4 (CH) | 40.9 |
| 5 (C) | 133.1 |
| 6 (CH) | 128.1 |
| 7 (CH) | 123.2 |
| 8 (C) | 145.8 |
| 9 (C) | 133.3 |
| 10 (C) | 138 |
| 11 (CH2) | 23.4 |
| 12 (CH2) | 29.7 |
| 13 (C) | 45.4 |
| 14 (C) | 49.4 |
| 15 (CH2) | 45.1 |
| 16 (CH) | 76.6 |
| 17 (CH) | 57.3 |
| 18 (CH3) | 18 |
| 19 (CH3) | 19.7 |
| 20 (CH) | 48.5 |
| 21 (C) | 178.7 |
| 22 (CH2) | 31.5 |
| 23 (CH2) | 33.1 |
| 24 (C) | 156 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 22 |
| 28 (CH3) | 18.2 |
| 29 (CH3) | 18.3 |
| 30 (CH3) | 29.2 |
| 24a (CH2) | 107 |
