Spektraris NMR
2,22beta-Dihydroxy-3-methoxy-24,29-dinorfriedela-1,3,5(10),7-tetrene-6,21-dione
Common Name: 2,22beta-Dihydroxy-3-methoxy-24,29-dinorfriedela-1,3,5(10),7-tetrene-6,21-dione
Synonyms: 2,22beta-Dihydroxy-3-methoxy-24,29-dinorfriedela-1,3,5(10),7-tetrene-6,21-dione
CAS Registry Number:
InChI: InChI=1S/C29H38O5/c1-15-12-20-27(4,25(33)23(15)32)9-11-29(6)21-14-18(30)22-16(2)24(34-7)19(31)13-17(22)26(21,3)8-10-28(20,29)5/h13-15,20,25,31,33H,8-12H2,1-7H3/t15-,20-,25-,26+,27-,28+,29-/m1/s1
InChIKey: InChIKey=XAXJBZNZNJCMRZ-YYFDBVFDSA-N
Formula: C29H38O5
Molecular Weight: 466.610114
Exact Mass: 466.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chavez, H., Valdivia, E., Estevez-Braun, A., Ravelo, A.G. Tetrahedron (1998) 54, 13579-90
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 109.09 |
| 2 (C) | 152.07 |
| 3 (C) | 144.33 |
| 4 (C) | 133.08 |
| 5 (C) | 130.66 |
| 6 (C) | 186.96 |
| 7 (CH) | 128.08 |
| 8 (C) | 170.04 |
| 9 (C) | 39.98 |
| 10 (C) | 154.9 |
| 11 (CH2) | 34.35 |
| 12 (CH2) | 30.12 |
| 13 (C) | 40.09 |
| 14 (C) | 44 |
| 15 (CH2) | 28.14 |
| 16 (CH2) | 29.57 |
| 17 (C) | 44.97 |
| 18 (CH) | 44.84 |
| 19 (CH2) | 31.91 |
| 20 (CH) | 40.85 |
| 21 (C) | 213.65 |
| 22 (CH) | 76.99 |
| 23 (CH3) | 14.74 |
| 25 (CH3) | 38.64 |
| 26 (CH3) | 20.91 |
| 27 (CH3) | 20.53 |
| 28 (CH3) | 25.03 |
| 30 (CH3) | 14.74 |
| 3a (CH3) | 61.03 |
