Spektraris NMR
Missouriensin
Common Name: Missouriensin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O3/c1-20(2)32(34)18-17-28(6)23-11-12-24-29(7)15-10-14-27(4,5)26(29)22(35-21(3)33)19-31(24,9)30(23,8)16-13-25(28)32/h22-26,34H,1,10-19H2,2-9H3/t22-,23+,24+,25+,26-,28+,29+,30+,31+,32-/m0/s1
InChIKey: InChIKey=PDFGAGAGDJZCGY-FAWJNCFKSA-N
Formula: C32H52O3
Molecular Weight: 484.754683
Exact Mass: 484.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wong S.M., Pezzuto J.M., Fong H.H.S., Farnsworth N.R. J Nat Prod (1986) 49, 330
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 39.5 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 40.7 |
| 4 (C) | 33 |
| 5 (CH) | 58.2 |
| 6 (CH) | 71.9 |
| 7 (CH2) | 40 |
| 8 (C) | 42.5 |
| 9 (CH) | 49.1 |
| 10 (C) | 39.3 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 23.2 |
| 13 (CH) | 49.6 |
| 14 (C) | 41.9 |
| 15 (CH2) | 33.3 |
| 16 (CH2) | 20.2 |
| 17 (CH) | 64.1 |
| 18 (C) | 44.4 |
| 19 (CH2) | 43.3 |
| 20 (CH2) | 37 |
| 21 (C) | 83.5 |
| 22 (C) | 149.1 |
| 23 (CH3) | 36.1 |
| 24 (CH3) | 22 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 16.4 |
| 28 (CH3) | 15.2 |
| 29 (CH2) | 112 |
| 30 (CH3) | 20.9 |
| 6a (C) | 170.1 |
| 6b (CH3) | 22 |
