Spektraris NMR
19-nor-16α-acetoxy-10β-hydroxyasclepin
Common Name: 19-nor-16α-acetoxy-10β-hydroxyasclepin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O12/c1-15-9-25(42-17(3)34)32(38)28(40-15)43-22-11-19-5-6-21-20(30(19,36)12-23(22)44-32)7-8-29(4)27(18-10-26(35)39-14-18)24(41-16(2)33)13-31(21,29)37/h10,15,19-25,27-28,36-38H,5-9,11-14H2,1-4H3/t15-,19+,20+,21-,22-,23-,24-,25+,27+,28+,29-,30-,31+,32+/m1/s1
InChIKey: InChIKey=GTDWVHHOYGPTHH-AWNWBXKYSA-N
Formula: C32H44O12
Molecular Weight: 620.685801
Exact Mass: 620.283277
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) | 40.9 |
| 2 (CH) | 69.5 |
| 3 (CH) | 72.6 |
| 4 (CH2) | 32.7 |
| 5 (CH) | 44.4 |
| 6 (CH2) | 28.1 |
| 7 (CH2) | 27.6 |
| 8 (CH) | 40.9 |
| 9 (CH) | 48.7 |
| 10 (C) | 72.7 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 40.1 |
| 13 (C) | 49.6 |
| 14 (C) | 84.2 |
| 15 (CH2) | 39.8 |
| 16 (CH) | 79.3 |
| 17 (CH) | 58.4 |
| 18 (CH3) | 16.1 |
| 20 (C) | 173 |
| 21 (CH2) | 74.1 |
| 22 (CH) | 118.3 |
| 23 (C) | 174.3 |
| 1' (CH) | 97.3 |
| 2' (C) | 91.8 |
| 3' (CH) | 75.5 |
| 4' (CH2) | 36.3 |
| 5' (CH) | 68.1 |
| 6' (CH3) | 21.3 |
| 16a (C) | 170.7 |
| 16b (CH3) | 21 |
| 3'a (C) | 170.9 |
| 3'b (CH3) | 21 |
