Spektraris NMR
91590-76-0
Common Name: 91590-76-0
Synonyms: 91590-76-0
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18(2)14-20(32)15-19(3)21-10-11-29(7)26-24(33)16-23-22(8-9-25(34)27(23,4)5)30(26,17-31)13-12-28(21,29)6/h14,16-17,19-22,24-26,32-34H,8-13,15H2,1-7H3/t19-,20?,21-,22-,24+,25+,26+,28-,29+,30-/m1/s1
InChIKey: InChIKey=QBXNBPFTVLJTMK-KIAXAHKRSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mekuria, D.B., Kashiwagi, T., Tebayashi, S., Kim, C.S. Biosci Biotechnol Biochem (2005) 69, 1706-10
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) | 21.27 |
| 2 (CH2) | 29.4 |
| 3 (CH) | 75.43 |
| 4 (C) | 41.59 |
| 5 (C) | 145.38 |
| 6 (CH) | 123.63 |
| 7 (CH) | 65.47 |
| 8 (CH) | 49.12 |
| 9 (C) | 50.99 |
| 10 (CH) | 36.35 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 29.02 |
| 13 (C) | 45.21 |
| 14 (C) | 48.13 |
| 15 (CH2) | 34.36 |
| 16 (CH2) | 27.58 |
| 17 (CH) | 50.66 |
| 18 (CH3) | 14.47 |
| 19 (CH) | 207.49 |
| 20 (CH) | 32.38 |
| 21 (CH3) | 18.58 |
| 22 (CH2) | 44.89 |
| 23 (CH) | 64.89 |
| 24 (CH) | 131.56 |
| 25 (C) | 130.52 |
| 26 (CH3) | 25.74 |
| 27 (CH3) | 17.72 |
| 28 (CH3) | 26.81 |
| 29 (CH3) | 25.29 |
| 30 (CH3) | 17.6 |
