Spektraris NMR
1,3-Diacetyl-24-epi-polacandrin
Common Name: 1,3-Diacetyl-24-epi-polacandrin
Synonyms: 1,3-Diacetyl-24-epi-polacandrin
CAS Registry Number:
InChI: InChI=1S/C34H56O7/c1-19(35)39-26-18-27(40-20(2)36)34(10)23(29(26,3)4)12-15-31(7)24(34)17-22(37)28-21(11-14-32(28,31)8)33(9)16-13-25(41-33)30(5,6)38/h21-28,37-38H,11-18H2,1-10H3/t21-,22+,23-,24-,25+,26+,27+,28-,31+,32+,33-,34-/m0/s1
InChIKey: InChIKey=WSLDSLPNFRQNCB-AYJXGDQBSA-N
Formula: C34H56O7
Molecular Weight: 576.805537
Exact Mass: 576.402604
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Simirgiotis, M.J., Jimenez, C., Rodriguez, J., Giordano, O.S., Tonn, C.E. J Nat Prod (2003) 66, 1586-92
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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 (CH) | 78.4 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 77.9 |
| 4 (C) | 36.5 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 34.3 |
| 8 (C) | 40.4 |
| 9 (CH) | 50.6 |
| 10 (C) | 42.2 |
| 11 (CH2) | 33.1 |
| 12 (CH) | 70.6 |
| 13 (CH) | 48.6 |
| 14 (C) | 51.7 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 48.2 |
| 18 (CH3) | 18 |
| 19 (CH3) | 13.2 |
| 20 (C) | 86.3 |
| 21 (CH3) | 28.1 |
| 22 (CH2) | 31.3 |
| 23 (CH2) | 25.1 |
| 24 (CH) | 85.4 |
| 25 (C) | 69.9 |
| 26 (CH3) | 27.7 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 27.3 |
| 29 (CH3) | 21.4 |
| 30 (CH3) | 15.6 |
| 1a (C) | 170.5 |
| 1b (CH3) | 21.2 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.9 |
