Spektraris NMR
11a,15a-Diacetoxybrachycarpon-22(23)-ene
Common Name: 11a,15a-Diacetoxybrachycarpon-22(23)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H46O10/c1-17(34)39-22-14-21-20(31(7)13-11-26(37)43-31)15-25(41-19(3)36)33(21,9)30(6)12-10-23-29(4,5)42-27(38)16-24(40-18(2)35)32(23,8)28(22)30/h11,13,20-25,28H,10,12,14-16H2,1-9H3/t20-,21+,22+,23-,24+,25-,28-,30+,31-,32+,33-/m0/s1
InChIKey: InChIKey=GOCYQNNXAYOBDN-NANCAXGVSA-N
Formula: C33H46O10
Molecular Weight: 602.713609
Exact Mass: 602.309098
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.A., Kattab, A.M., Bodige, S.G., Mao, Y., Minter, D.E., Reinecke, M.G., Watson, W.H., Mabry, T.J. J Nat Prod (2001) 64, 106-7
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) | 78.7 |
| 2 (CH2) | 37 |
| 3 (C) | 172 |
| 4 (C) | 84.4 |
| 5 (CH) | 53.4 |
| 6 (CH2) | 23.3 |
| 7 (CH2) | 34.7 |
| 8 (C) | 50.6 |
| 9 (CH) | 51.1 |
| 10 (C) | 43.8 |
| 11 (CH) | 72 |
| 12 (CH2) | 33.4 |
| 13 (CH) | 39.7 |
| 14 (C) | 41.9 |
| 15 (CH) | 73.3 |
| 16 (CH2) | 32.5 |
| 17 (CH) | 44.6 |
| 18 (CH3) | 10.5 |
| 19 (CH3) | 14.4 |
| 20 (C) | 90.4 |
| 21 (CH3) | 23.4 |
| 22 (CH) | 158.3 |
| 23 (CH) | 121.9 |
| 24 (C) | 171.6 |
| 28 (CH3) | 30.3 |
| 29 (CH3) | 26.5 |
| 30 (CH3) | 17.3 |
| 1a (C) | 170.37 |
| 1b (CH3) | 21.7 |
| 11a (C) | 170.45 |
| 11b (CH3) | 21.4 |
| 15a (C) | 170.47 |
| 15b (CH3) | 21.2 |
