Spektraris NMR
(22R)-12alpha,22-Dihydroxy-3-oxolanosta-9(11),24-diene-26-oic acid delta-lactone
Common Name: (22R)-12alpha,22-Dihydroxy-3-oxolanosta-9(11),24-diene-26-oic acid delta-lactone
Synonyms: (22R)-12alpha,22-Dihydroxy-3-oxolanosta-9(11),24-diene-26-oic acid delta-lactone
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-17-8-10-22(34-26(17)33)18(2)19-12-15-29(6)20-9-11-23-27(3,4)24(31)13-14-28(23,5)21(20)16-25(32)30(19,29)7/h8,16,18-20,22-23,25,32H,9-15H2,1-7H3/t18-,19+,20+,22+,23-,25-,28+,29-,30-/m0/s1
InChIKey: InChIKey=HQXUWKJRTTUVTF-MIIHTCETSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pu, J.X., Xiao, W.L., Li, H.M., Huang, S.X., Li, S.H., Sun, H.D. Helv Chim Acta (2007) 90, 723-9
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) | 36.8 |
| 2 (CH2) | 34.9 |
| 3 (C) | 215.5 |
| 4 (C) | 47.7 |
| 5 (CH) | 53.4 |
| 6 (CH2) | 22.6 |
| 7 (CH2) | 28.6 |
| 8 (CH) | 42.2 |
| 9 (C) | 148.6 |
| 10 (C) | 39.3 |
| 11 (CH) | 120.4 |
| 12 (CH) | 73 |
| 13 (C) | 48.7 |
| 14 (C) | 46 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 26.7 |
| 17 (CH) | 40.2 |
| 18 (CH3) | 15 |
| 19 (CH3) | 22.1 |
| 20 (CH) | 39.9 |
| 21 (CH3) | 12.3 |
| 22 (CH) | 80.9 |
| 23 (CH2) | 23.9 |
| 24 (CH) | 140.3 |
| 25 (C) | 128 |
| 26 (C) | 166.4 |
| 27 (CH3) | 17.2 |
| 28 (CH3) | 20.7 |
| 29 (CH3) | 26 |
| 30 (CH3) | 22.1 |
