Spektraris NMR
Cyclolaudenol
Common Name: Cyclolaudenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h21-26,32H,1,9-19H2,2-8H3/t21?,22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=IXHACUTUTOCSJE-QFTQTLHLSA-N
Formula: C31H52O1
Molecular Weight: 440.745137
Exact Mass: 440.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cantillo-Ciau, Z., Brito-Loeza, W., Quijano, L. J Nat Prod (2001) 64, 953-5
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 |
| 2 (CH2) | 30.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 40.5 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 28.1 |
| 8 (CH) | 48 |
| 9 (C) | 20 |
| 10 (C) | 26.1 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 32.9 |
| 13 (C) | 48.8 |
| 14 (C) | 45.3 |
| 15 (CH2) | 35.6 |
| 16 (CH2) | 26 |
| 17 (CH) | 52.3 |
| 18 (CH3) | 18 |
| 19 (CH2) | 29.9 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 33.9 |
| 23 (CH2) | 31.5 |
| 24 (CH) | 41.6 |
| 25 (C) | 150.2 |
| 26 (CH2) | 109.4 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 25.4 |
| 29 (CH3) | 14 |
| 30 (CH3) | 19.3 |
| 24a (CH3) | 20.1 |
