Spektraris NMR
28-Norlupa-12,17-diene-3beta,16alpha-diol diacetate
Common Name: 28-Norlupa-12,17-diene-3beta,16alpha-diol diacetate
Synonyms: 28-Norlupa-12,17-diene-3beta,16alpha-diol diacetate
CAS Registry Number:
InChI: InChI=1S/C33H50O4/c1-19(2)22-10-11-23-25(36-20(3)34)18-33(9)24(29(22)23)12-13-27-31(7)16-15-28(37-21(4)35)30(5,6)26(31)14-17-32(27,33)8/h12,19,22,25-28H,10-11,13-18H2,1-9H3/t22-,25+,26-,27+,28-,31-,32+,33+/m0/s1
InChIKey: InChIKey=LCPCGBAGHQEUNF-FJFWNMCESA-N
Formula: C33H50O4
Molecular Weight: 510.748942
Exact Mass: 510.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Koul, S., Razdan, T.K., Andotra, C.S., Kalla, A.K., Taneja, S.C., Dhar, K.L. Phytochemistry (2000) 53, 305-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 38.9 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 80.8 |
| 4 (C) | 40.5 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 32.3 |
| 8 (C) | 39.4 |
| 9 (CH) | 48.2 |
| 10 (C) | 38.7 |
| 11 (CH2) | 32.2 |
| 12 (CH) | 129.1 |
| 13 (C) | 149.6 |
| 14 (C) | 49.3 |
| 15 (CH2) | 26.9 |
| 16 (CH) | 82.3 |
| 17 (C) | 152.9 |
| 18 (C) | 154.8 |
| 19 (CH) | 47.7 |
| 20 (CH) | 29.2 |
| 21 (CH2) | 31.6 |
| 22 (CH2) | 46.2 |
| 23 (CH3) | 27.4 |
| 24 (CH3) | 15.8 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 20.9 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 17.8 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.3 |
| 16a (C) | 172.2 |
| 16b (CH3) | 22.5 |
