Spektraris NMR
Alisol C monoacetate
Common Name: Alisol C monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23+,26+,27?,30+,31+,32+/m1/s1
InChIKey: InChIKey=KOOCQNIPRJEMDH-JDMKXUAGSA-N
Formula: C32H48O6
Molecular Weight: 528.721134
Exact Mass: 528.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Geng, P.W., Fukuyama, Y., Yamada, T., Wang, R., Bao, J.X., Nakagawa, K. Phytochemistry (1988) 27, 1161-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Protostanes; 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) | 34.7 |
| 2 (CH2) | 33.5 |
| 3 (C) | 219.6 |
| 4 (C) | 46.9 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 30.7 |
| 8 (C) | 40 |
| 9 (CH) | 48.7 |
| 10 (C) | 36.8 |
| 11 (CH) | 69.7 |
| 12 (CH2) | 36 |
| 13 (C) | 177 |
| 14 (C) | 49.7 |
| 15 (CH2) | 45.6 |
| 16 (C) | 207.9 |
| 17 (C) | 138.3 |
| 18 (CH3) | 23 |
| 19 (CH3) | 22.9 |
| 20 (CH) | 26.6 |
| 21 (CH3) | 25.4 |
| 22 (CH2) | 35.5 |
| 23 (CH) | 71.8 |
| 24 (CH) | 64.8 |
| 25 (C) | 58.6 |
| 26 (CH3) | 24.6 |
| 27 (CH3) | 19.6 |
| 28 (CH3) | 19.2 |
| 29 (CH3) | 29.5 |
| 30 (CH3) | 21 |
| 23a (C) | 170 |
| 23b (CH3) | 20 |
