Spektraris NMR
28-hydroxyfriedelane-1,3-dione 2,28-diacetate
Common Name: 28-hydroxyfriedelane-1,3-dione 2,28-diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O5/c1-21-25(39-23(3)36)18-24(37)28-30(21,6)11-10-26-31(28,7)13-14-33(9)27-19-29(4,5)12-16-34(27,20-38-22(2)35)17-15-32(26,33)8/h18,21,26-28H,10-17,19-20H2,1-9H3/t21-,26-,27-,28+,30+,31+,32+,33-,34+/m0/s1
InChIKey: InChIKey=AHRUBWAFVSNUTP-OZWIWILBSA-N
Formula: C34H52O5
Molecular Weight: 540.774964
Exact Mass: 540.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chavez, H., Estevez-Braun, A., Ravelo, A.G., Gonzalez, A.G. J Nat Prod (1998) 61, 82-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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 (C) | 199.9 |
| 2 (CH) | 118.74 |
| 3 (C) | 167.06 |
| 4 (CH) | 48.78 |
| 5 (C) | 42.32 |
| 6 (CH2) | 40.99 |
| 7 (CH2) | 17.62 |
| 8 (CH) | 51.5 |
| 9 (C) | 36.99 |
| 10 (CH) | 68.8 |
| 11 (CH2) | 34.51 |
| 12 (CH2) | 29.92 |
| 13 (C) | 39.07 |
| 14 (C) | 39.04 |
| 15 (CH2) | 28.01 |
| 16 (CH2) | 29.51 |
| 17 (C) | 33.74 |
| 18 (CH) | 38.08 |
| 19 (CH2) | 33.06 |
| 20 (C) | 29.51 |
| 21 (CH2) | 31.46 |
| 22 (CH2) | 32.24 |
| 23 (CH3) | 8.95 |
| 24 (CH3) | 15.12 |
| 25 (CH3) | 18.21 |
| 26 (CH3) | 19.35 |
| 27 (CH3) | 19.23 |
| 28 (CH2) | 69.04 |
| 29 (CH3) | 34.38 |
| 30 (CH3) | 32.53 |
| 3a (C) | 167.8 |
| 3b (CH3) | 21.05 |
| 28a (C) | 171.44 |
| 28b (CH3) | 20.83 |
