Spektraris NMR
Alisol B monoacetate
Common Name: Alisol B monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27?,30+,31+,32+/m1/s1
InChIKey: InChIKey=NLOAQXKIIGTTRE-GVNPGFECSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
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) | 34.1 |
| 2 (CH2) | 33.6 |
| 3 (C) | 220 |
| 4 (C) | 46.9 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 20 |
| 7 (CH2) | 29.1 |
| 8 (C) | 40.7 |
| 9 (CH) | 49.9 |
| 10 (C) | 36.7 |
| 11 (CH) | 70 |
| 12 (CH2) | 34.4 |
| 13 (C) | 134 |
| 14 (C) | 57 |
| 15 (CH2) | 30.6 |
| 16 (CH2) | 30.9 |
| 17 (C) | 130 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 23.7 |
| 20 (CH) | 27.7 |
| 21 (CH3) | 25.5 |
| 22 (CH2) | 36.8 |
| 23 (CH) | 71.4 |
| 24 (CH) | 65 |
| 25 (C) | 58.4 |
| 26 (CH3) | 19.3 |
| 27 (CH3) | 24.6 |
| 28 (CH3) | 20 |
| 29 (CH3) | 30.8 |
| 30 (CH3) | 20.1 |
| 23a (C) | 169.8 |
| 23b (CH3) | 19.9 |
