Spektraris NMR
20-carboxy-16-hydroxy-21-nor-5α-7,9(11)-lanostadien-3,24-dione
Common Name: 20-carboxy-16-hydroxy-21-nor-5α-7,9(11)-lanostadien-3,24-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-24,26,32H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20?,23-,24-,26-,29+,30+,31-/m0/s1
InChIKey: InChIKey=KPKYWYZPIVAHKU-FBDHYGEUSA-N
Formula: C31H46O4
Molecular Weight: 482.695707
Exact Mass: 482.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kawagishi, H., Li, H., Tanno, O., Inoue, S., Ikeda, S., OhnishiKameyama, M., Nagata, T. Phytochemistry (1997) 46, 959-61
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) | 36.6 |
| 2 (CH2) | 34.1 |
| 3 (C) | 216.4 |
| 4 (C) | 47.4 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 120.8 |
| 8 (C) | 141.8 |
| 9 (C) | 144.3 |
| 10 (C) | 31.3 |
| 11 (CH) | 116.7 |
| 12 (CH2) | 35.4 |
| 13 (C) | 44.1 |
| 14 (C) | 48.7 |
| 15 (CH2) | 43.4 |
| 16 (CH) | 76.5 |
| 17 (CH) | 57 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 22 |
| 20 (CH) | 46.3 |
| 21 (C) | 180.2 |
| 22 (CH2) | 30.4 |
| 23 (CH2) | 32.1 |
| 24 (C) | 154.9 |
| 25 (CH) | 33.7 |
| 26 (CH3) | 21.7 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 22.4 |
| 29 (CH3) | 25.4 |
| 30 (CH3) | 26 |
| 24a (CH2) | 107.1 |
