Spektraris NMR
Hemslecin A
Common Name: Hemslecin A
Synonyms: Hemslecin A
CAS Registry Number:
InChI: InChI=1S/C32H50O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25-26,34-35,38-39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1
InChIKey: InChIKey=LKYNAQSYQLFTCM-GYXNDICUSA-N
Formula: C32H50O8
Molecular Weight: 562.735826
Exact Mass: 562.350569
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Gupta, M. Unpublished Results (0) 0,
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 33.31 |
| 2 (CH) | 71.09 |
| 3 (CH) | 81 |
| 4 (C) | 41.89 |
| 5 (C) | 140.75 |
| 6 (CH) | 119.26 |
| 7 (CH2) | 23.77 |
| 8 (CH) | 42.6 |
| 9 (C) | 48.33 |
| 10 (CH) | 33.95 |
| 11 (C) | 212.02 |
| 12 (CH2) | 48.74 |
| 13 (C) | 50.71 |
| 14 (C) | 48.33 |
| 15 (CH2) | 45.57 |
| 16 (CH) | 71.08 |
| 17 (CH) | 58.78 |
| 18 (CH3) | 19.79 |
| 19 (CH3) | 20.28 |
| 20 (C) | 78.02 |
| 21 (CH3) | 24.48 |
| 22 (C) | 212.79 |
| 23 (CH2) | 30.69 |
| 24 (CH2) | 34.79 |
| 25 (C) | 81.33 |
| 26 (CH3) | 26.16 |
| 27 (CH3) | 25.88 |
| 28 (CH3) | 18.92 |
| 29 (CH3) | 24.66 |
| 30 (CH3) | 21.53 |
| 25a (C) | 170.4 |
| 25b (CH3) | 22.42 |
