Spektraris NMR
Longiside-A
Common Name: Longiside-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H74O10/c1-12-32(27(4)5)14-13-28(6)36-17-18-37-35-16-15-33-24-34(19-21-45(33,10)38(35)20-22-46(36,37)11)55-44-43(54-31(9)49)42(53-30(8)48)41(52-29(7)47)39(56-44)25-51-40(50)23-26(2)3/h15,26-28,32,34-39,41-44H,12-14,16-25H2,1-11H3/t28-,32-,34+,35+,36-,37+,38+,39-,41-,42+,43-,44-,45+,46-/m1/s1
InChIKey: InChIKey=ZSCXNRYYDHXMDL-QWBGARIISA-N
Formula: C46H74O10
Molecular Weight: 787.075516
Exact Mass: 786.528199
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 |
| 2 (CH2) | 29.4 |
| 3 (CH) | 80.1 |
| 4 (CH2) | 38.9 |
| 5 (C) | 140.3 |
| 6 (CH) | 122.1 |
| 7 (CH2) | 31.9 |
| 8 (CH) | 31.8 |
| 9 (CH) | 50.1 |
| 10 (C) | 36.5 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 39.7 |
| 13 (C) | 42.2 |
| 14 (CH) | 56.7 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 56 |
| 18 (CH3) | 11.9 |
| 19 (CH3) | 19.5 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 33.9 |
| 23 (CH2) | 26 |
| 24 (CH) | 45.8 |
| 25 (CH) | 29.1 |
| 26 (CH3) | 19.8 |
| 27 (CH3) | 19 |
| 1' (CH) | 99.6 |
| 2' (CH) | 71.5 |
| 3' (CH) | 71.7 |
| 4' (CH) | 68.5 |
| 5' (CH) | 72.9 |
| 6' (CH2) | 61.9 |
| 1'' (C) | 173.5 |
| 2'' (CH2) | 42.3 |
| 3'' (CH) | 26.3 |
| 4'' (CH3) | 22.1 |
| 5'' (CH3) | 22.5 |
| 24a (CH2) | 23 |
| 24b (CH3) | 12 |
| 2'a (C) | 170.3 |
| 2'b (CH3) | 21 |
| 3'a (C) | 169.8 |
| 3'b (CH3) | 20.7 |
| 4'a (C) | 170 |
| 4'b (CH3) | 20.8 |
