Spektraris NMR
Triptocallic acid D
Common Name: Triptocallic acid D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22+,23-,26-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=JTBGJQZJEYVBJZ-SXKKXCELSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Nakano, K., Oose, Y., Takaishi, Y. Phytochemistry (1997) 46, 1179-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 33.8 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 76.3 |
| 4 (C) | 37.9 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.3 |
| 8 (C) | 40.8 |
| 9 (CH) | 48.1 |
| 10 (C) | 39 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 123.2 |
| 13 (C) | 144.2 |
| 14 (C) | 43 |
| 15 (CH2) | 25.8 |
| 16 (CH2) | 20 |
| 17 (C) | 31.1 |
| 18 (CH) | 41.1 |
| 19 (CH2) | 38.2 |
| 20 (C) | 44.2 |
| 21 (CH2) | 41.8 |
| 22 (CH) | 16.5 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 22.8 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 26.3 |
| 28 (CH3) | 25.1 |
| 29 (C) | 186.3 |
| 30 (CH3) | 21.5 |
