Spektraris NMR
3beta-Acetoxy-28-norlupa-12,17-diene-16-one
Common Name: 3beta-Acetoxy-28-norlupa-12,17-diene-16-one
Synonyms: 3beta-Acetoxy-28-norlupa-12,17-diene-16-one
CAS Registry Number:
InChI: InChI=1S/C31H46O3/c1-18(2)20-9-10-21-23(33)17-31(8)22(27(20)21)11-12-25-29(6)15-14-26(34-19(3)32)28(4,5)24(29)13-16-30(25,31)7/h11,18,20,24-26H,9-10,12-17H2,1-8H3/t20-,24-,25+,26-,29-,30+,31+/m0/s1
InChIKey: InChIKey=VCSFNRXDZQGKDM-NEOKKEPSSA-N
Formula: C31H46O3
Molecular Weight: 466.696302
Exact Mass: 466.344695
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) | 38.4 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 80.5 |
| 4 (C) | 40.2 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 32.6 |
| 8 (C) | 41.3 |
| 9 (CH) | 38.3 |
| 10 (C) | 38.2 |
| 11 (CH2) | 31.9 |
| 12 (CH) | 131.4 |
| 13 (C) | 151.9 |
| 14 (C) | 51.2 |
| 15 (CH2) | 33.2 |
| 16 (C) | 218.9 |
| 17 (C) | 157.9 |
| 18 (C) | 155.8 |
| 19 (CH) | 48.3 |
| 20 (CH) | 28.4 |
| 21 (CH2) | 31.2 |
| 22 (CH2) | 48.3 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 19.1 |
| 27 (CH3) | 23.8 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 17.4 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.3 |
