Spektraris NMR
(17S,20R,24R)-17,25-Dihydroxy-20,24-epoxy-14(18)-malabaricen-3-one
Common Name: (17S,20R,24R)-17,25-Dihydroxy-20,24-epoxy-14(18)-malabaricen-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-19(9-12-24(32)30(8)18-15-25(34-30)27(4,5)33)20-10-11-22-28(20,6)16-13-21-26(2,3)23(31)14-17-29(21,22)7/h20-22,24-25,32-33H,1,9-18H2,2-8H3/t20-,21+,22-,24+,25-,28-,29+,30-/m1/s1
InChIKey: InChIKey=SBYBESQWVAOXTK-NGWXMMEMSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ziegler, H.L., Staerk, D., Christensen, J., Olsen, C.E., Sittie, A.A., Jaroszewski, J.W. J Nat Prod (2006) 65, 1764-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Isomalabaricanes; 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) | 39.14 |
| 2 (CH2) | 34.17 |
| 3 (C) | 217.71 |
| 4 (C) | 47.47 |
| 5 (CH) | 55.32 |
| 6 (CH2) | 20.34 |
| 7 (CH2) | 35.75 |
| 8 (C) | 45.14 |
| 9 (CH) | 54.67 |
| 10 (C) | 36.22 |
| 11 (CH2) | 20.78 |
| 12 (CH2) | 27.55 |
| 13 (CH) | 55.75 |
| 14 (C) | 154.19 |
| 15 (CH2) | 36.08 |
| 16 (CH2) | 30.07 |
| 17 (CH) | 75.91 |
| 18 (CH2) | 109.57 |
| 19 (CH3) | 15.1 |
| 20 (C) | 86.18 |
| 21 (CH3) | 23.97 |
| 22 (CH2) | 31.23 |
| 23 (CH2) | 26.61 |
| 24 (CH) | 87.76 |
| 25 (C) | 70.49 |
| 26 (CH3) | 23.97 |
| 27 (CH3) | 27.74 |
| 28 (CH3) | 26.61 |
| 29 (CH3) | 21.09 |
| 30 (CH3) | 24.21 |
