Spektraris NMR
3-Oxo-16alpha-acetoxy-24-methylene-5alpha-lanosta-7,9(11)-dien-21-oic acid
Common Name: 3-Oxo-16alpha-acetoxy-24-methylene-5alpha-lanosta-7,9(11)-dien-21-oic acid
Synonyms: 3-Oxo-16alpha-acetoxy-24-methylene-5alpha-lanosta-7,9(11)-dien-21-oic acid
CAS Registry Number:
InChI: InChI=1S/C33H48O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(38-21(4)34)18-33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(28,33)8/h12,14,19,22,25-26,28H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,28+,31-,32-,33+/m1/s1
InChIKey: InChIKey=FPLFOXNTFUNRIC-SJXZRTDNSA-N
Formula: C33H48O5
Molecular Weight: 524.732465
Exact Mass: 524.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Keller, A.C., Maillard, M.P., Hostettmann, K. Phytochemistry (1996) 41, 1041-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 36.7 |
| 2 (CH2) | 34.9 |
| 3 (C) | 215 |
| 4 (C) | 47.4 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 121.2 |
| 8 (C) | 141.8 |
| 9 (C) | 144.7 |
| 10 (C) | 37.5 |
| 11 (CH) | 117.4 |
| 12 (CH2) | 30.9 |
| 13 (C) | 44.4 |
| 14 (C) | 48.9 |
| 15 (CH2) | 41.4 |
| 16 (CH) | 79.1 |
| 17 (CH) | 54 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 22.3 |
| 20 (CH) | 47.4 |
| 21 (C) | 177.8 |
| 22 (CH2) | 35.9 |
| 23 (CH2) | 32.4 |
| 24 (C) | 155.8 |
| 25 (CH) | 34.4 |
| 26 (CH3) | 22 |
| 27 (CH3) | 22 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 25.6 |
| 16a (C) | 170 |
| 16b (CH3) | 21 |
| 24a (CH2) | 106.9 |
