Spektraris NMR
(3β,9β)-3-Hydroxy-24-methylene-1-oxo-9,19-cyclolanostan-28-oic acid
Common Name: (3β,9β)-3-Hydroxy-24-methylene-1-oxo-9,19-cyclolanostan-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-18(2)19(3)8-9-20(4)21-12-13-28(6)22-10-11-23-29(7,26(34)35)24(32)16-25(33)31(23)17-30(22,31)15-14-27(21,28)5/h18,20-24,32H,3,8-17H2,1-2,4-7H3,(H,34,35)/t20-,21-,22+,23+,24+,27-,28+,29+,30+,31-/m1/s1
InChIKey: InChIKey=DFBCVZCHRMESFM-IPRKTUQPSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Banskota, A.H., Tezuka, Y., Tran, K.Q., Tanaka, K., Saiki, I., Kadota, S. Chem Pharm Bull (2000) 48, 496-504
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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 (C) | 208.7 |
| 2 (CH2) | 49 |
| 3 (CH) | 73.6 |
| 4 (C) | 54.7 |
| 5 (CH) | 44.7 |
| 6 (CH2) | 22 |
| 7 (CH2) | 28 |
| 8 (CH) | 43.8 |
| 9 (C) | 28.1 |
| 10 (C) | 37.1 |
| 11 (CH2) | 27.8 |
| 12 (CH2) | 33.2 |
| 13 (C) | 45.4 |
| 14 (C) | 49.5 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 23.5 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 18.4 |
| 19 (CH2) | 28.2 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 16.9 |
| 22 (CH2) | 35.3 |
| 23 (CH2) | 31.6 |
| 24 (C) | 156.7 |
| 25 (CH) | 34 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 21.9 |
| 28 (C) | 179 |
| 29 (CH3) | 10.6 |
| 30 (CH3) | 18.5 |
| 24a (CH2) | 106.6 |
