Spektraris NMR
19-nor-10β-hydroxyasclepin
Common Name: 19-nor-10β-hydroxyasclepin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O10/c1-15-10-24(38-16(2)31)30(35)26(37-15)39-22-12-18-4-5-21-20(28(18,33)13-23(22)40-30)6-8-27(3)19(7-9-29(21,27)34)17-11-25(32)36-14-17/h11,15,18-24,26,33-35H,4-10,12-14H2,1-3H3/t15-,18+,19-,20+,21-,22-,23-,24+,26+,27-,28-,29+,30+/m1/s1
InChIKey: InChIKey=NCLNYNGGTWLDPZ-WWUHGJKLSA-N
Formula: C30H42O10
Molecular Weight: 562.649638
Exact Mass: 562.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Warashina, T., Shikata, K., Miyase, T., Fujii, S., Noro, T. Chem Pharm Bull (2008) 56, 1159-63
Species:
Notes: Family : Steroids, Type : nor-Cholanes, Group : Cardenolides; 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) | 41.1 |
| 2 (CH) | 69.6 |
| 3 (CH) | 72.6 |
| 4 (CH2) | 32.8 |
| 5 (CH) | 44.4 |
| 6 (CH2) | 28.2 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 40.8 |
| 9 (CH) | 48.7 |
| 10 (C) | 72.7 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 39.6 |
| 13 (C) | 50 |
| 14 (C) | 84.3 |
| 15 (CH2) | 33.2 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 51.4 |
| 18 (CH3) | 16.1 |
| 20 (C) | 175.9 |
| 21 (CH2) | 73.7 |
| 22 (CH) | 117.7 |
| 23 (C) | 174.5 |
| 1' (CH) | 97.3 |
| 2' (C) | 91.8 |
| 3' (CH) | 75.5 |
| 4' (CH2) | 36.4 |
| 5' (CH) | 68.1 |
| 6' (CH3) | 21.3 |
| 3'a (C) | 170.7 |
| 3'b (CH3) | 21 |
