Spektraris NMR
Protoaescigenin
Common Name: Protoaescigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24-,26-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=VKJLHZZPVLQJKG-JAGYOTNFSA-N
Formula: C30H50O6
Molecular Weight: 506.715544
Exact Mass: 506.360739
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Qiu, S.X., Gong, Y., Cheung, H.T.A. Phytochemistry (1993) 34, 1385-7
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) | 39 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 80.2 |
| 4 (C) | 43.2 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40.1 |
| 9 (CH) | 48.2 |
| 10 (C) | 37.1 |
| 11 (CH2) | 23.5 |
| 12 (CH) | 122.9 |
| 13 (C) | 144 |
| 14 (C) | 42 |
| 15 (CH2) | 36.4 |
| 16 (CH) | 77.4 |
| 17 (C) | 47.3 |
| 18 (CH) | 41.3 |
| 19 (CH2) | 49.7 |
| 20 (C) | 34.3 |
| 21 (CH) | 78.8 |
| 22 (CH) | 67.9 |
| 23 (CH3) | 24.2 |
| 24 (CH2) | 64.6 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 27.4 |
| 28 (CH2) | 68.5 |
| 29 (CH3) | 30.5 |
| 30 (CH3) | 19.4 |
