Spektraris NMR
Methyl (1α,3β,9β)-1,3,21-trihydroxy-24-methylene-9,19-cyclolanostan-28-oate
Common Name: Methyl (1α,3β,9β)-1,3,21-trihydroxy-24-methylene-9,19-cyclolanostan-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-19(2)20(3)8-9-21(17-33)22-12-13-29(5)23-10-11-24-30(6,27(36)37-7)25(34)16-26(35)32(24)18-31(23,32)15-14-28(22,29)4/h19,21-26,33-35H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24-,25-,26-,28+,29-,30-,31-,32+/m0/s1
InChIKey: InChIKey=DIQRBPRZHFZWHZ-OOHLBGGMSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
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) | 72.3 |
| 2 (CH2) | 38.6 |
| 3 (CH) | 70.5 |
| 4 (C) | 56.1 |
| 5 (CH) | 38 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 27.8 |
| 8 (CH) | 48.3 |
| 9 (C) | 20.9 |
| 10 (C) | 29.8 |
| 11 (CH2) | 26.2 |
| 12 (CH2) | 32.4 |
| 13 (C) | 45.6 |
| 14 (C) | 49.2 |
| 15 (CH2) | 35.9 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 46.8 |
| 18 (CH3) | 19.7 |
| 19 (CH2) | 30.2 |
| 20 (CH) | 43.6 |
| 21 (CH2) | 61.8 |
| 22 (CH2) | 29.1 |
| 23 (CH2) | 31.7 |
| 24 (C) | 157.1 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 22.2 |
| 27 (CH3) | 22.1 |
| 28 (C) | 178.2 |
| 29 (CH3) | 9.5 |
| 30 (CH3) | 18.8 |
| 24a (CH2) | 106.5 |
| 28a (CH3) | 51.5 |
