Spektraris NMR
Suberosol
Common Name: Suberosol
Synonyms: Suberosol
CAS Registry Number:
InChI: InChI=1S/C31H50O2/c1-19(2)20(3)10-11-21(4)24-18-27(33)31(9)23-12-13-25-28(5,6)26(32)15-16-29(25,7)22(23)14-17-30(24,31)8/h12,14,19,21,24-27,32-33H,3,10-11,13,15-18H2,1-2,4-9H3/t21?,24-,25+,26+,27+,29-,30-,31-/m1/s1
InChIKey: InChIKey=MJRURUDEESYVHI-RZRNWKEFSA-N
Formula: C31H50O2
Molecular Weight: 454.72866
Exact Mass: 454.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lue, Y.P., Mu, Q., Zheng, H.L., Li, C.M. Phytochemistry (1998) 49, 2053-6
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) | 35.8 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.7 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 23 |
| 7 (CH) | 121.3 |
| 8 (C) | 140.9 |
| 9 (C) | 146.2 |
| 10 (C) | 37.5 |
| 11 (CH) | 116 |
| 12 (CH2) | 38.6 |
| 13 (C) | 44.4 |
| 14 (C) | 52 |
| 15 (CH) | 74.9 |
| 16 (CH2) | 40.1 |
| 17 (CH) | 48.9 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 22.8 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 35 |
| 23 (CH2) | 31.3 |
| 24 (C) | 156.5 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 22 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 16 |
| 30 (CH3) | 17.2 |
| 24a (CH2) | 106.2 |
