Spektraris NMR
Longiside-B
Common Name: Longiside-B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C57H96O10/c1-11-13-14-15-16-17-18-19-20-21-22-23-24-25-51(61)62-37-50-52(63-40(6)58)53(64-41(7)59)54(65-42(8)60)55(67-50)66-45-32-34-56(9)44(36-45)28-29-46-48-31-30-47(57(48,10)35-33-49(46)56)39(5)26-27-43(12-2)38(3)4/h28,38-39,43,45-50,52-55H,11-27,29-37H2,1-10H3/t39-,43-,45+,46+,47-,48+,49+,50-,52-,53+,54-,55-,56+,57-/m1/s1
InChIKey: InChIKey=JBZURISFBWQCNL-ZSDNWMCUSA-N
Formula: C57H96O10
Molecular Weight: 941.368308
Exact Mass: 940.700349
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gongora, L., Manez, S., Giner, R.M., Carmen Recio, M., Gray, A.I., Rios, J.L. Phytochemistry (2002) 59, 857-60
Species:
Notes: Family : Steroids, Type : Stigmastanes; 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 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 79.7 |
| 4 (CH2) | 38.7 |
| 5 (C) | 140.2 |
| 6 (CH) | 122.3 |
| 7 (CH2) | 32.03 |
| 8 (CH) | 31.9 |
| 9 (CH) | 50.1 |
| 10 (C) | 36.6 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 39.6 |
| 13 (C) | 42.2 |
| 14 (CH) | 56.6 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 55.9 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 19.2 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 34 |
| 23 (CH2) | 26 |
| 24 (CH) | 45.7 |
| 25 (CH) | 29.2 |
| 26 (CH3) | 19.6 |
| 27 (CH3) | 18.9 |
| 1' (CH) | 99.6 |
| 2' (CH) | 71.4 |
| 3' (CH) | 71.8 |
| 4' (CH) | 68.7 |
| 5' (CH) | 72.9 |
| 6' (CH2) | 61.1 |
| 1'' (C) | 174.6 |
| 2'' (CH2) | 32.5 |
| 3'' (CH2) | 30.1 |
| 4'' (CH2) | 29.1 |
| 5'' (CH2) | 29.1 |
| 6'' (CH2) | 29.1 |
| 7'' (CH2) | 29.1 |
| 8'' (CH2) | 29.1 |
| 9'' (CH2) | 28.2 |
| 10'' (CH2) | 28.2 |
| 11'' (CH2) | 28.2 |
| 12'' (CH2) | 28.2 |
| 13'' (CH2) | 28.2 |
| 14'' (CH2) | 28.2 |
| 15'' (CH2) | 28.2 |
| 16'' (CH3) | 14.5 |
| 24a (CH2) | 23 |
| 24b (CH3) | 11.8 |
| 2'a (C) | 170.1 |
| 2'b (CH3) | 21 |
| 3'a (C) | 169.8 |
| 3'b (CH3) | 20.9 |
| 4'a (C) | 169.5 |
| 4'b (CH3) | 20.7 |
