Spektraris NMR
Abudinol
Common Name: Abudinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-26(2,33)22-12-14-28(5)16-18(8-11-23(28)34-22)19-9-10-21-29(19,6)15-13-24-30(21,7)17-20(31)25(32)27(3,4)35-24/h21-25,32-33H,8-17H2,1-7H3/b19-18+/t21-,22-,23+,24+,25+,28+,29-,30+/m1/s1
InChIKey: InChIKey=DRPWVNXRWYGFPN-GGVYDKRHSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Rudi, A., Stein, Z., Goldberg, I., Yosief, T., Kashman, Y. Tetrahedron Lett (1998) 39, 1445-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Neviotanes; 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 |
|---|---|
| 2 (C) | 73.7 |
| 3 (CH) | 16.7 |
| 4 (C) | 20.7 |
| 5 (CH2) | 35.5 |
| 6 (C) | 41.2 |
| 7 (CH) | 76.8 |
| 8 (CH2) | 28.9 |
| 9 (CH2) | 37.3 |
| 10 (C) | 44.8 |
| 11 (CH) | 59.6 |
| 12 (CH2) | 25.7 |
| 13 (CH2) | 30.5 |
| 14 (C) | 143.6 |
| 15 (C) | 125.6 |
| 16 (CH2) | 27.6 |
| 17 (CH2) | 29.1 |
| 18 (CH) | 76.3 |
| 19 (C) | 35.3 |
| 20 (CH2) | 44.2 |
| 21 (CH2) | 35.4 |
| 22 (CH2) | 20 |
| 23 (CH) | 78.1 |
| 24 (C) | 77.8 |
| 25 (CH3) | 26.7 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 13.9 |
| 30 (CH3) | 20.1 |
| 31 (CH3) | 18.4 |
