Spektraris NMR
Daedaleanic Acid B
Common Name: Daedaleanic Acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-17(2)21(31)10-8-18(26(34)35)25-22(32)16-30(7)20-9-11-23-27(3,4)24(33)13-14-28(23,5)19(20)12-15-29(25,30)6/h17-18,22-25,32-33H,8-16H2,1-7H3,(H,34,35)/t18-,22-,23+,24-,25+,28-,29-,30+/m1/s1
InChIKey: InChIKey=IDFNQSYCBZBJRE-SHUBQVNDSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
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) | 30.7 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 75 |
| 4 (C) | 38.1 |
| 5 (CH) | 44.6 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 26.6 |
| 8 (C) | 134.5 |
| 9 (C) | 135 |
| 10 (C) | 37.4 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 29.7 |
| 13 (C) | 46.2 |
| 14 (C) | 48.8 |
| 15 (CH2) | 43.6 |
| 16 (CH) | 76.4 |
| 17 (CH) | 56.9 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 19.3 |
| 20 (CH) | 47.8 |
| 21 (C) | 178.6 |
| 22 (CH2) | 26.8 |
| 23 (CH2) | 38.6 |
| 24 (C) | 213.8 |
| 25 (CH) | 40.9 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 29 |
| 29 (CH3) | 22.5 |
| 30 (CH3) | 25.3 |
