Spektraris NMR
(9beta,13alpha,17S,24E)-3alpha-Hydroxy-17-methyl-23-oxo-30-nor-5alpha-lanosta-7,14,24-triene-26-oic acid
Common Name: (9beta,13alpha,17S,24E)-3alpha-Hydroxy-17-methyl-23-oxo-30-nor-5alpha-lanosta-7,14,24-triene-26-oic acid
Synonyms: (9beta,13alpha,17S,24E)-3alpha-Hydroxy-17-methyl-23-oxo-30-nor-5alpha-lanosta-7,14,24-triene-26-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-18(26(33)34)16-20(31)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(32)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16,19,22,24-25,32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,22-,24+,25-,28-,29+,30-/m1/s1
InChIKey: InChIKey=ABGXDYHSMIYRIC-CBIIVAGISA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gao, H.Y., Wu, L.J., Nakane, T., Shirota, O., Kuroyanagi, M. Chem Pharm Bull (2008) 56, 554-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedolanostanes; 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) | 28.7 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 76.3 |
| 4 (C) | 37.1 |
| 5 (CH) | 38 |
| 6 (CH2) | 23.1 |
| 7 (CH) | 120.8 |
| 8 (C) | 136.6 |
| 9 (CH) | 52.9 |
| 10 (C) | 34.7 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 33.9 |
| 13 (C) | 51.7 |
| 14 (C) | 152.8 |
| 15 (CH) | 115.1 |
| 16 (CH2) | 45 |
| 17 (C) | 50.5 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 22.3 |
| 20 (CH) | 33.6 |
| 21 (CH3) | 16.6 |
| 22 (CH2) | 48.7 |
| 23 (C) | 202 |
| 24 (CH) | 134.2 |
| 25 (C) | 139.4 |
| 26 (C) | 171.7 |
| 27 (CH3) | 14.1 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 23 |
| 30 (CH3) | 19.3 |
