Spektraris NMR
Methyl (1α,3β,9β,11α)-3-acetoxy-24-methylene-1,11-epoxy-9,19-cyclolanostan-28-oate
Common Name: Methyl (1α,3β,9β,11α)-3-acetoxy-24-methylene-1,11-epoxy-9,19-cyclolanostan-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O5/c1-19(2)20(3)10-11-21(4)23-14-15-30(6)24-12-13-25-32(8,29(36)37-9)26(38-22(5)35)16-27-34(25)18-33(24,34)28(39-27)17-31(23,30)7/h19,21,23-28H,3,10-18H2,1-2,4-9H3/t21-,23-,24+,25+,26+,27+,28-,30+,31-,32+,33+,34-/m1/s1
InChIKey: InChIKey=JISKPKRVVHQSMV-ISIDXMIOSA-N
Formula: C34H52O5
Molecular Weight: 540.774964
Exact Mass: 540.381475
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Banskota, A.H., Tezuka, Y., Tran, K.Q., Tanaka, K., Saiki, I., Kadota, S. Chem Pharm Bull (2000) 48, 496-504
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 79.4 |
| 2 (CH2) | 37 |
| 3 (CH) | 74.6 |
| 4 (C) | 50.1 |
| 5 (CH) | 37.9 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 22.9 |
| 8 (CH) | 38.6 |
| 9 (C) | 33 |
| 10 (C) | 37.2 |
| 11 (CH) | 84.7 |
| 12 (CH2) | 39.7 |
| 13 (C) | 47.6 |
| 14 (C) | 49.5 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 33.9 |
| 17 (CH) | 51.3 |
| 18 (CH3) | 15.6 |
| 19 (CH2) | 30 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.9 |
| 22 (CH2) | 35.3 |
| 23 (CH2) | 31.6 |
| 24 (C) | 156.7 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 22.2 |
| 27 (CH3) | 22 |
| 28 (C) | 177.1 |
| 29 (CH3) | 13.2 |
| 30 (CH3) | 19 |
| 3a (C) | 170.5 |
| 3b (CH3) | 20.5 |
| 24a (CH2) | 106.7 |
| 28a (CH3) | 52.1 |
