Spektraris NMR
22-Hydroxy-16-oxosipholenone A
Common Name: 22-Hydroxy-16-oxosipholenone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O6/c1-18-19(25(2,3)30(35)16-15-29(8,34)22(30)17-20(18)31)9-10-21-27(6)13-11-23(32)26(4,5)36-24(27)12-14-28(21,7)33/h18-19,21-22,24,33-35H,9-17H2,1-8H3/t18-,19+,21-,22+,24-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=FIZNPJDWFJQMEH-IAUMSPCXSA-N
Formula: C30H50O6
Molecular Weight: 506.715544
Exact Mass: 506.360739
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jain, S., Shirode, A., Yacoub, S., Barbo, A., Sylvester, P.W., Huntimer, E., Halaweish, F., El Sayed, K.A. Planta Med (2007) 73, 591-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sipholanes; 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 (C) | 42.2 |
| 2 (CH2) | 39.8 |
| 3 (CH2) | 35 |
| 4 (C) | 218 |
| 5 (C) | 82.5 |
| 7 (CH) | 81 |
| 8 (CH2) | 26.4 |
| 9 (CH2) | 39.3 |
| 10 (C) | 72.2 |
| 11 (CH) | 55.5 |
| 12 (CH2) | 29.4 |
| 13 (CH2) | 32 |
| 14 (CH) | 54.9 |
| 15 (CH) | 53.5 |
| 16 (C) | 214.9 |
| 17 (CH2) | 41.5 |
| 18 (CH) | 41 |
| 19 (C) | 82.9 |
| 20 (CH2) | 38.3 |
| 21 (CH2) | 22.7 |
| 22 (C) | 90.8 |
| 23 (C) | 44 |
| 24 (CH3) | 12.3 |
| 25 (CH3) | 20.5 |
| 26 (CH3) | 26.7 |
| 27 (CH3) | 30.8 |
| 28 (CH3) | 19.9 |
| 29 (CH3) | 25.8 |
| 30 (CH3) | 26 |
| 31 (CH3) | 25.6 |
