Spektraris NMR
subprogenin B
Common Name: subprogenin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-25-12-13-28(4)19(20(25)14-30(17-32,18-33)15-24(25)35)6-7-22-26(2)10-9-23(34)27(3,16-31)21(26)8-11-29(22,28)5/h6,20-23,31-34H,7-18H2,1-5H3/t20-,21+,22+,23-,25+,26-,27+,28+,29+/m0/s1
InChIKey: InChIKey=ZJZSSUXQPBSZBH-LKTXHGEGSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Takeshita T., Yokoyama K., Yi D., Kinjo J., Nohara T. Chem Pharm Bull (1991) 39, 1908
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.9 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 80 |
| 4 (C) | 43.2 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.4 |
| 8 (C) | 39.9 |
| 9 (CH) | 48 |
| 10 (C) | 37 |
| 11 (CH2) | 24 |
| 12 (CH) | 124 |
| 13 (C) | 142.3 |
| 14 (C) | 42.1 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 27 |
| 17 (C) | 48.1 |
| 18 (CH) | 47.1 |
| 19 (CH2) | 37.6 |
| 20 (C) | 44.1 |
| 21 (CH2) | 42.4 |
| 22 (C) | 216.8 |
| 23 (CH3) | 23.6 |
| 24 (CH2) | 64.6 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 25.3 |
| 28 (CH3) | 21.6 |
| 29 (CH2) | 68.3 |
| 30 (CH2) | 65 |
