Spektraris NMR
Kalopanax genin-l1 (22a-hydroxyhederagenin)
Common Name: Kalopanax genin-l1 (22a-hydroxyhederagenin)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-25(2)15-19-18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-29(21,6)28(18,5)13-14-30(19,24(34)35)23(33)16-25/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=GOCRRHMITIRHTO-PIMPREGSSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Shao C.J., Kasai R., Ohtani K., Xu J.D., Tanaka. Chem Pharm Bull (1989) 37, 3251
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.8 |
| 2 (CH2) | 28 |
| 3 (CH) | 73.6 |
| 4 (C) | 42.6 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 32.8 |
| 8 (C) | 40 |
| 9 (CH) | 48.1 |
| 10 (C) | 37.2 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.8 |
| 13 (C) | 144.2 |
| 14 (C) | 42.1 |
| 15 (CH2) | 27.7 |
| 16 (CH2) | 16.9 |
| 17 (C) | 53.1 |
| 18 (CH) | 43.5 |
| 19 (CH2) | 46.2 |
| 20 (C) | 31.5 |
| 21 (CH2) | 42.2 |
| 22 (CH) | 71.5 |
| 23 (CH2) | 68 |
| 24 (CH3) | 13.1 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 26.7 |
| 28 (C) | 179.5 |
| 29 (CH3) | 33.4 |
| 30 (CH3) | 25.1 |
