Spektraris NMR
3-Oxo-16alpha-acetoxy-24-methylene-5alpha-lanost-8-en-21-oic acid
Common Name: 3-Oxo-16alpha-acetoxy-24-methylene-5alpha-lanost-8-en-21-oic acid
Synonyms: 3-Oxo-16alpha-acetoxy-24-methylene-5alpha-lanost-8-en-21-oic acid
CAS Registry Number:
InChI: InChI=1S/C33H50O5/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/h19,22,25-26,28H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,28+,31-,32-,33+/m1/s1
InChIKey: InChIKey=PGBDADPMOWDBTQ-SJXZRTDNSA-N
Formula: C33H50O5
Molecular Weight: 526.748347
Exact Mass: 526.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rosecke, J., Konig, W.A. Phytochemistry (2000) 54, 757-62
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) | 36.07 |
| 2 (CH2) | 34.5 |
| 3 (C) | 217.48 |
| 4 (C) | 47.42 |
| 5 (CH) | 51.18 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 26.3 |
| 8 (C) | 133.35 |
| 9 (C) | 134.63 |
| 10 (C) | 36.95 |
| 11 (CH2) | 20.58 |
| 12 (CH2) | 28.95 |
| 13 (C) | 45.12 |
| 14 (C) | 48.16 |
| 15 (CH2) | 40.28 |
| 16 (CH) | 78.98 |
| 17 (CH) | 52.91 |
| 18 (CH3) | 17.38 |
| 19 (CH3) | 18.63 |
| 20 (CH) | 46.2 |
| 21 (C) | 180.77 |
| 22 (CH2) | 30.05 |
| 23 (CH2) | 31.66 |
| 24 (C) | 154.82 |
| 25 (CH) | 34.02 |
| 26 (CH3) | 21.85 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 21.27 |
| 29 (CH3) | 26.19 |
| 30 (CH3) | 24.85 |
| 16a (C) | 106.85 |
| 16b (CH3) | 170.79 |
| 24a (CH2) | 21.33 |
