Spektraris NMR
11a,15a-Diacetoxybrachycarpon-22(23)-ene
Common Name: 11a,15a-Diacetoxybrachycarpon-22(23)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O8/c1-17(32)36-21-15-20-19(30(7)14-11-24(34)39-30)9-12-28(20,5)29(6)13-10-22-27(3,4)38-25(35)16-23(37-18(2)33)31(22,8)26(21)29/h11,14,19-23,26H,9-10,12-13,15-16H2,1-8H3/t19-,20+,21+,22-,23+,26-,28+,29+,30-,31+/m0/s1
InChIKey: InChIKey=CNJHAUNKFRJISW-DVAMAWJFSA-N
Formula: C31H44O8
Molecular Weight: 544.677445
Exact Mass: 544.303618
NMR Solvent:
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) | 36.8 |
| 3 (C) | 172 |
| 4 (C) | 84.4 |
| 5 (CH) | 53.4 |
| 6 (CH2) | 23.3 |
| 7 (CH2) | 34.6 |
| 8 (C) | 49.9 |
| 9 (CH) | 51 |
| 10 (C) | 43.7 |
| 11 (CH) | 72.8 |
| 12 (CH2) | 34.2 |
| 13 (CH) | 41.7 |
| 14 (C) | 41.3 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 46.3 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 14.2 |
| 20 (C) | 90 |
| 21 (CH3) | 23 |
| 22 (CH) | 159.4 |
| 23 (CH) | 120.9 |
| 24 (C) | 172.1 |
| 28 (CH3) | 30.2 |
| 29 (CH3) | 26.4 |
| 30 (CH3) | 16.9 |
| 1a (C) | 170.3 |
| 1b (CH3) | 21.7 |
| 11a (C) | 170.5 |
| 11b (CH3) | 21.2 |
