Spektraris NMR
(3b,11b)-3,11-Dihydroxylanosta-8,24-dien-7-one
Common Name: (3b,11b)-3,11-Dihydroxylanosta-8,24-dien-7-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)26-21(31)16-23-27(4,5)24(33)13-14-28(23,6)25(26)22(32)17-30(20,29)8/h10,19-20,22-24,32-33H,9,11-17H2,1-8H3/t19-,20-,22+,23+,24+,28+,29+,30-/m1/s1
InChIKey: InChIKey=KCRCUVQMEFAPLR-NRGQVNQASA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, Z.Q., Chen, G.T., Zhang, J.Q., Huang, H.L., Guan, S.H., Guo, D.A. Helv Chim Acta (2007) 90, 2245-50
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) | 33.6 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 78.2 |
| 4 (C) | 39 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 35.8 |
| 7 (C) | 200.1 |
| 8 (C) | 140.4 |
| 9 (C) | 161.2 |
| 10 (C) | 39.6 |
| 11 (CH) | 68.1 |
| 12 (CH2) | 42.8 |
| 13 (C) | 48 |
| 14 (C) | 46.2 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 48.6 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 19.6 |
| 20 (CH) | 35.6 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 35.5 |
| 23 (CH2) | 24.8 |
| 24 (CH) | 124.9 |
| 25 (C) | 131.1 |
| 26 (CH3) | 25.68 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 15.2 |
| 30 (CH3) | 25.73 |
