Spektraris NMR
Physagulin L
Common Name: Physagulin L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O10/c1-15-11-21(40-25(35)18(15)14-31)16(2)29(37)13-24(39-17(3)32)30(38)20-12-23(34)28(36)9-6-7-22(33)27(28,5)19(20)8-10-26(29,30)4/h6-7,16,19-21,23-24,31,34,36-38H,8-14H2,1-5H3/t16-,19+,20-,21-,23-,24+,26-,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=YFXBHSNQUQNGMW-AJULRSEFSA-N
Formula: C30H42O10
Molecular Weight: 562.649638
Exact Mass: 562.277798
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Abe, F., Nagafuji, S., Okawa, M., Kinjo, J. Chem Pharm Bull (2006) 54, 1226-8
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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 (C) | 204.7 |
| 2 (CH) | 129.1 |
| 3 (CH) | 142 |
| 4 (CH2) | 36.8 |
| 5 (C) | 77.3 |
| 6 (CH) | 74.8 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 36.2 |
| 9 (CH) | 34.9 |
| 10 (C) | 52.7 |
| 11 (CH2) | 23.3 |
| 12 (CH2) | 31.6 |
| 13 (C) | 51.3 |
| 14 (C) | 87.7 |
| 15 (CH) | 79.2 |
| 16 (CH2) | 48.2 |
| 17 (C) | 86.2 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 15.1 |
| 20 (CH) | 42.3 |
| 21 (CH3) | 9.9 |
| 22 (CH) | 77.3 |
| 23 (CH2) | 32.7 |
| 24 (C) | 154.7 |
| 25 (C) | 127.1 |
| 26 (C) | 166.4 |
| 27 (CH2) | 56.2 |
| 28 (CH3) | 20 |
| 15a (C) | 170.4 |
| 15b (CH3) | 21.4 |
