Spektraris NMR
Antcin A
Common Name: Antcin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O4/c1-16(18(3)27(32)33)7-8-17(2)21-11-12-23-20-9-10-22-19(4)24(30)13-14-28(22,5)26(20)25(31)15-29(21,23)6/h17-19,21-23H,1,7-15H2,2-6H3,(H,32,33)/t17-,18?,19+,21?,22+,23?,28+,29-/m1/s1
InChIKey: InChIKey=WTSUWKBKPMVEBO-YEBOOYPYSA-N
Formula: C29H42O4
Molecular Weight: 454.642472
Exact Mass: 454.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cherng, I.-H., Chiang, H.-C. J Nat Prod (1995) 58, 365-71
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35 |
| 2 (CH2) | 37.8 |
| 3 (C) | 217.3 |
| 4 (CH) | 44.3 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 30.2 |
| 8 (C) | 157.5 |
| 9 (C) | 138.6 |
| 10 (C) | 38.6 |
| 11 (C) | 200.2 |
| 12 (CH2) | 57.6 |
| 13 (C) | 47.2 |
| 14 (CH) | 53 |
| 15 (CH2) | 23.6 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 55.2 |
| 18 (CH3) | 12 |
| 19 (CH3) | 17.4 |
| 20 (CH) | 35.7 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 33.7 |
| 23 (CH2) | 31.3 |
| 24 (C) | 148.2 |
| 25 (CH) | 45.3 |
| 26 (C) | 179.7 |
| 27 (CH3) | 16.1 |
| 28 (CH3) | 11.8 |
| 24a (CH2) | 111.3 |
