Spektraris NMR
(1α,3β,9β,23E)-9,19-Cyclolanost-23-ene-1,3,25,28-tetrol
Common Name: (1α,3β,9β,23E)-9,19-Cyclolanost-23-ene-1,3,25,28-tetrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-19(8-7-12-25(2,3)34)20-11-13-28(6)22-10-9-21-26(4,18-31)23(32)16-24(33)30(21)17-29(22,30)15-14-27(20,28)5/h7,12,19-24,31-34H,8-11,13-18H2,1-6H3/b12-7+/t19-,20-,21+,22+,23+,24+,26+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=UNFVXDFXRSNKIF-LHMYOOPASA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
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 (CH) | 72.7 |
| 2 (CH2) | 38.6 |
| 3 (CH) | 69.6 |
| 4 (C) | 45 |
| 5 (CH) | 34.5 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 28.4 |
| 8 (CH) | 48.5 |
| 9 (C) | 20.8 |
| 10 (C) | 30.9 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 33.2 |
| 13 (C) | 45.5 |
| 14 (C) | 49.1 |
| 15 (CH2) | 36.1 |
| 16 (CH2) | 26.1 |
| 17 (CH) | 52.4 |
| 18 (CH3) | 18.7 |
| 19 (CH2) | 30.1 |
| 20 (CH) | 36.9 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 39.5 |
| 23 (CH) | 124.6 |
| 24 (CH) | 141.6 |
| 25 (C) | 69.7 |
| 26 (CH3) | 30.5 |
| 27 (CH3) | 30.5 |
| 28 (CH2) | 68 |
| 29 (CH3) | 10.7 |
| 30 (CH3) | 19.5 |
