Spektraris NMR
Tupichinin A
Common Name: Tupichinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O8/c1-13(29)17-6-7-18-16-5-4-14-10-15(34-25-24(33)23(32)22(31)20(12-28)35-25)11-21(30)27(14,3)19(16)8-9-26(17,18)2/h4,6,15-16,18-25,28,30-33H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m0/s1
InChIKey: InChIKey=GITMCXDSAKMGOI-BLIRSTDCSA-N
Formula: C27H40O8
Molecular Weight: 492.602739
Exact Mass: 492.272318
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Pan, W.B., Wei, L.M., Wei, L.L., Wu, Y.C. Chem Pharm Bull (2006) 54, 954-8
Species:
Notes: Family : Steroids, Type : Pregnanes; 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) | 76 |
| 2 (CH2) | 36.7 |
| 3 (CH) | 75.4 |
| 4 (CH2) | 39.1 |
| 5 (C) | 140.2 |
| 6 (CH) | 125.3 |
| 7 (CH2) | 32.5 |
| 8 (CH) | 32.4 |
| 9 (CH) | 52.1 |
| 10 (C) | 46.9 |
| 11 (CH2) | 24.8 |
| 12 (CH2) | 36.5 |
| 13 (C) | 44.9 |
| 14 (CH) | 58 |
| 15 (CH2) | 33.5 |
| 16 (CH) | 147.2 |
| 17 (C) | 156.7 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 13.2 |
| 20 (C) | 199.5 |
| 21 (CH3) | 27.1 |
| 1' (CH) | 102.9 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.7 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 62.8 |
