Spektraris NMR
Missourin acetate
Common Name: Missourin acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-19(27(34)35)21-12-16-29(5)22(21)13-17-31(7)24(29)10-11-25-30(6)15-9-14-28(3,4)26(30)23(36-20(2)33)18-32(25,31)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23+,24-,25-,26+,29+,30-,31-,32-/m1/s1
InChIKey: InChIKey=CVTIRWJGLKXYSV-IMJHOKHESA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wong S.M., Oshima Y., Pezzuto J.P., Fong H.H.S., Farnsworth N.R. J Pharm Sci (1986) 75, 317
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) | 40.6 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.7 |
| 5 (CH) | 58.9 |
| 6 (CH) | 72.4 |
| 7 (CH2) | 41.4 |
| 8 (C) | 43.1 |
| 9 (CH) | 49.2 |
| 10 (C) | 40 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 50.3 |
| 14 (C) | 42.6 |
| 15 (CH2) | 33.7 |
| 16 (CH2) | 20.6 |
| 17 (CH) | 54.8 |
| 18 (C) | 45.7 |
| 19 (CH2) | 44 |
| 20 (CH2) | 27 |
| 21 (CH) | 39.7 |
| 22 (C) | 143.7 |
| 23 (CH3) | 36.8 |
| 24 (CH3) | 22.6 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 18.5 |
| 27 (CH3) | 17.3 |
| 28 (CH3) | 16.1 |
| 29 (CH2) | 125.1 |
| 30 (C) | 174.3 |
| 6a (C) | 170.8 |
| 6b (CH3) | 22.6 |
