Spektraris NMR
3β,7β-Dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acidmethyl ester
Common Name: 3β,7β-Dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acidmethyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h13,16-17,20,22-23,33,35H,9-12,14-15H2,1-8H3/t16-,17?,20+,22+,23+,29+,30-,31+/m1/s1
InChIKey: InChIKey=XCOZTXYRNZTFEU-GZFUUBGNSA-N
Formula: C31H44O7
Molecular Weight: 528.67804
Exact Mass: 528.308704
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guan, S.H., Yang, M., Wang, X.M., Xia, J.M., Zhang, Z.M., Liu, X., Guo, D.A. Magn Reson Chem (2007) 45, 789-91
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) | 34.6 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 78.2 |
| 4 (C) | 38.7 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 26.1 |
| 7 (CH) | 67.1 |
| 8 (C) | 158.1 |
| 9 (C) | 142.1 |
| 10 (C) | 39.2 |
| 11 (C) | 197.3 |
| 12 (CH2) | 44.4 |
| 13 (C) | 51.4 |
| 14 (C) | 58.3 |
| 15 (C) | 210.8 |
| 16 (CH) | 122.3 |
| 17 (C) | 187.6 |
| 18 (CH3) | 30.9 |
| 19 (CH3) | 18.5 |
| 20 (CH) | 28.6 |
| 21 (CH3) | 19.4 |
| 22 (CH2) | 47.6 |
| 23 (C) | 205.9 |
| 24 (CH2) | 46.3 |
| 25 (CH) | 34.6 |
| 26 (C) | 176 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 33.2 |
| 26a (CH3) | 51.9 |
