Spektraris NMR
Baimantuoluoline A
Common Name: Baimantuoluoline A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15-,16+,17-,18-,20-,21-,22+,23+,24+,26+,27+,28+/m1/s1
InChIKey: InChIKey=PXNLYJYFBSKVBN-PPRIEWEISA-N
Formula: C28H38O7
Molecular Weight: 486.598188
Exact Mass: 486.261754
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yang, B.Y., Wang, Q.H., Xia, Y.G., Feng, W.S., Kuang, H.X. Helv Chim Acta (2007) 90, 1522-8
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) | 205.8 |
| 2 (CH) | 129.4 |
| 3 (CH) | 142.4 |
| 4 (CH2) | 38 |
| 5 (C) | 74.9 |
| 6 (CH) | 56.9 |
| 7 (CH) | 56.4 |
| 8 (CH) | 33.2 |
| 9 (CH) | 34.7 |
| 10 (C) | 52.3 |
| 11 (CH2) | 33 |
| 12 (CH) | 78.9 |
| 13 (C) | 49.6 |
| 14 (CH) | 55.7 |
| 15 (CH) | 69.9 |
| 16 (CH2) | 41.3 |
| 17 (CH) | 54.6 |
| 18 (CH3) | 10.1 |
| 19 (CH3) | 15.3 |
| 20 (CH) | 39 |
| 21 (CH3) | 15.3 |
| 22 (CH) | 80.8 |
| 23 (CH2) | 31.9 |
| 24 (C) | 152.8 |
| 25 (C) | 122.1 |
| 26 (C) | 169.6 |
| 27 (CH3) | 12.4 |
| 28 (CH3) | 20.5 |
