Spektraris NMR
3,21beta-Dihydroxy-15-methyl-2-oxo-24,26-dinor-D:A-friedoolean-1(10),3,5,7,14-pentene-29-oic acid methyl ester
Common Name: 3,21beta-Dihydroxy-15-methyl-2-oxo-24,26-dinor-D:A-friedoolean-1(10),3,5,7,14-pentene-29-oic acid methyl ester
Synonyms: 3,21beta-Dihydroxy-15-methyl-2-oxo-24,26-dinor-D:A-friedoolean-1(10),3,5,7,14-pentene-29-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C30H38O5/c1-16-13-27(3)15-23(32)30(6,26(34)35-7)14-22(27)29(5)11-10-28(4)19(24(16)29)9-8-18-17(2)25(33)21(31)12-20(18)28/h8-9,12,22-23,32-33H,10-11,13-15H2,1-7H3/t22-,23+,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=AKILTDMBUDIAST-KILMDDQQSA-N
Formula: C30H38O5
Molecular Weight: 478.62085
Exact Mass: 478.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jeller, A.H., Silva, D.H., Liao, L.M., Bolzani Vda, S., Furlan, M. Phytochemistry (2004) 65, 1977-82
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) | 119.4 |
| 2 (C) | 178.8 |
| 3 (C) | 146.1 |
| 4 (C) | 118.6 |
| 5 (C) | 127.6 |
| 6 (CH) | 137.8 |
| 7 (CH) | 122.2 |
| 8 (C) | 160.2 |
| 9 (C) | 45.5 |
| 10 (C) | 163.5 |
| 11 (CH2) | 37.3 |
| 12 (CH2) | 35.2 |
| 13 (C) | 43.3 |
| 14 (C) | 135.5 |
| 15 (C) | 129.8 |
| 16 (CH2) | 39 |
| 17 (C) | 35.6 |
| 18 (CH) | 43.6 |
| 19 (CH2) | 34.2 |
| 20 (C) | 48 |
| 21 (CH) | 68 |
| 22 (CH2) | 39 |
| 23 (CH3) | 10.5 |
| 25 (CH3) | 29.45 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 24.3 |
| 28 (CH3) | 31.1 |
| 29 (C) | 178.8 |
| 30 (CH3) | 17.5 |
| 29a (CH3) | 52.3 |
