Spektraris NMR
3b-(b_D-glucoxyloxy)-16a,23a-epoxycucurbita-5,24-dien-11-one
Common Name: 3b-(b_D-glucoxyloxy)-16a,23a-epoxycucurbita-5,24-dien-11-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O9/c1-18(2)13-19-14-35(7,42)30-22(43-19)15-33(5)24-11-9-20-21(36(24,8)25(38)16-34(30,33)6)10-12-26(32(20,3)4)45-31-29(41)28(40)27(39)23(17-37)44-31/h9,13,19,21-24,26-31,37,39-42H,10-12,14-17H2,1-8H3/t19-,21+,22+,23+,24-,26-,27+,28-,29+,30-,31-,33-,34+,35-,36-/m0/s1
InChIKey: InChIKey=LQQSJEUPEQMGKJ-WNPSOQBASA-N
Formula: C36H56O9
Molecular Weight: 632.825819
Exact Mass: 632.392433
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Muñoz O., Delporte C., Backhouse N., Erazo S., Negrete R., Maldonado S., López-Pérez J.L., Feliciano A.S. Z Naturforsch (2000) 55, 141-145
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) | 24.2 |
| 2 (CH2) | 25.8 |
| 3 (CH) | 81.3 |
| 4 (C) | 41.1 |
| 5 (C) | 142.2 |
| 6 (CH) | 117.5 |
| 7 (CH2) | 23.5 |
| 8 (CH) | 41.9 |
| 9 (C) | 48.4 |
| 10 (CH) | 34 |
| 11 (C) | 212.7 |
| 12 (CH2) | 48.2 |
| 13 (C) | 47.6 |
| 14 (C) | 47.4 |
| 15 (CH2) | 39.8 |
| 16 (CH) | 75.3 |
| 17 (CH) | 54.6 |
| 18 (CH3) | 19.3 |
| 19 (CH3) | 19.9 |
| 20 (C) | 70.2 |
| 21 (CH3) | 28.7 |
| 22 (CH2) | 48.4 |
| 23 (CH) | 72.1 |
| 24 (CH) | 126.3 |
| 25 (C) | 133 |
| 26 (CH3) | 25.2 |
| 27 (CH3) | 18 |
| 28 (CH3) | 21.4 |
| 29 (CH3) | 24.5 |
| 30 (CH3) | 20.6 |
| 3a (CH) | 100.4 |
| 3b (CH) | 73.5 |
| 3c (CH) | 76.9 |
| 3d (CH) | 70.3 |
| 3e (CH) | 76.6 |
| 3f (CH2) | 61.3 |
