Spektraris NMR
Diosbulbiside A
Common Name: Diosbulbiside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H62O14/c1-18-27(41)29(43)30(44)33(49-18)52-32-28(42)25(16-40)51-34(31(32)45)50-21-8-10-36(4)20(14-21)6-7-22-23(36)9-11-37(5)24(22)15-26-39(37,47)19(2)38(53-26)13-12-35(3,46)17-48-38/h6,18-19,21-34,40-47H,7-17H2,1-5H3/t18-,19+,21-,22+,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+/m0/s1
InChIKey: InChIKey=BSDDPSKDLBDRSZ-NVNZNZKRSA-N
Formula: C39H62O14
Molecular Weight: 754.902696
Exact Mass: 754.413957
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, H., Chou, G.X., Wu, T., Guo, Y.L., Wang, S.C., Wang, C.H., Wang, Z.T. J Nat Prod (2009) 72, 1964-8
Species:
Notes: Family : Steroids, Type : Spirostanes; 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) | 37.6 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 78.3 |
| 4 (CH2) | 39.3 |
| 5 (C) | 140.9 |
| 6 (CH) | 121.9 |
| 7 (CH2) | 32.5 |
| 8 (CH) | 32.4 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 31.9 |
| 13 (C) | 45.3 |
| 14 (CH) | 53.2 |
| 15 (CH2) | 32.2 |
| 16 (CH) | 90.3 |
| 17 (C) | 90.2 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 19.5 |
| 20 (CH) | 44.9 |
| 21 (CH3) | 9.9 |
| 22 (C) | 110.3 |
| 23 (CH2) | 28.2 |
| 24 (CH2) | 33.5 |
| 25 (C) | 65.9 |
| 26 (CH2) | 69.8 |
| 27 (CH3) | 27.1 |
| 1' (CH) | 102.4 |
| 2' (CH) | 75.8 |
| 3' (CH) | 83.7 |
| 4' (CH) | 69.8 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 61.6 |
| 1'' (CH) | 103 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 72.8 |
| 4'' (CH) | 74.3 |
| 5'' (CH) | 70.3 |
| 6'' (CH3) | 18.8 |
