Spektraris NMR
9,19-Cyclolanostane-3,6,16,24,25-pentol
Common Name: 9,19-Cyclolanostane-3,6,16,24,25-pentol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-17(8-9-22(34)26(4,5)35)23-19(32)15-28(7)20-14-18(31)24-25(2,3)21(33)10-11-30(24)16-29(20,30)13-12-27(23,28)6/h17-24,31-35H,8-16H2,1-7H3/t17-,18+,19+,20+,21+,22-,23+,24+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=NNYKOYIGBZQYAI-CQOHEMLKSA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Orsini, F., Verotta, L., Barboni, L., Elsebakhy, N.A., Asaad, A.M., Abdallah, R.M., Toaima, S.M. Phytochemistry (1994) 35, 745-9
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 (CH2) | 32.5 |
| 2 (CH2) | 31.1 |
| 3 (CH) | 78 |
| 4 (C) | 42.8 |
| 5 (CH) | 53.7 |
| 6 (CH) | 68 |
| 7 (CH2) | 38.3 |
| 8 (CH) | 46.9 |
| 9 (C) | 21 |
| 10 (C) | 29.3 |
| 11 (CH2) | 26 |
| 12 (CH2) | 32.7 |
| 13 (C) | 45.4 |
| 14 (C) | 46.5 |
| 15 (CH2) | 48.1 |
| 16 (CH) | 71.7 |
| 17 (CH) | 57 |
| 18 (CH3) | 18.7 |
| 19 (CH2) | 30 |
| 20 (CH) | 28.3 |
| 21 (CH3) | 18 |
| 22 (CH2) | 32.9 |
| 23 (CH2) | 27.6 |
| 24 (CH) | 76.8 |
| 25 (C) | 72.2 |
| 26 (CH3) | 25.4 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 29 |
| 29 (CH3) | 15.8 |
| 30 (CH3) | 19.9 |
