Spektraris NMR
Alisol B 23-monoacetate
Common Name: Alisol B 23-monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O6/c1-18(15-22(38-19(2)34)28-30(5,6)39-28)26-20-16-21(35)27-31(7)13-12-25(36)29(3,4)24(31)11-14-32(27,8)33(20,9)17-23(26)37-10/h18,21-24,27-28,35H,11-17H2,1-10H3/t18-,21+,22+,23+,24+,27+,28?,31+,32+,33+/m1/s1
InChIKey: InChIKey=UJRPGLKPBYUOLM-XFFSDWEOSA-N
Formula: C33H52O6
Molecular Weight: 544.763633
Exact Mass: 544.376389
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) | 34.3 |
| 2 (CH2) | 33.6 |
| 3 (C) | 220 |
| 4 (C) | 46.1 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 30.8 |
| 8 (C) | 40.2 |
| 9 (CH) | 49.3 |
| 10 (C) | 36.8 |
| 11 (CH) | 69.9 |
| 12 (CH2) | 34.5 |
| 13 (C) | 134.5 |
| 14 (C) | 55 |
| 15 (CH2) | 38.6 |
| 16 (CH) | 86.2 |
| 17 (C) | 142.9 |
| 18 (CH3) | 24.5 |
| 19 (CH3) | 23.7 |
| 20 (CH) | 27.7 |
| 21 (CH3) | 25.5 |
| 22 (CH2) | 37.8 |
| 23 (CH) | 72.4 |
| 24 (CH) | 65.6 |
| 25 (C) | 58.6 |
| 26 (CH3) | 24.7 |
| 27 (CH3) | 19.3 |
| 28 (CH3) | 29.5 |
| 29 (CH3) | 21.4 |
| 30 (CH3) | 20 |
| 16a (CH3) | 56.1 |
| 23a (C) | 170.2 |
| 23b (CH3) | 20 |
