Spektraris NMR
Antcin B
Common Name: Antcin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19?,20?,21+,28+,29-/m1/s1
InChIKey: InChIKey=DVORYMAGXQGBQK-GZHMITFJSA-N
Formula: C29H40O5
Molecular Weight: 468.625996
Exact Mass: 468.287574
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) | 34.5 |
| 2 (CH2) | 37.3 |
| 3 (C) | 210.8 |
| 4 (CH) | 43.7 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 38.7 |
| 7 (C) | 200.7 |
| 8 (C) | 145.3 |
| 9 (C) | 151.8 |
| 10 (C) | 38.1 |
| 11 (C) | 202.5 |
| 12 (CH2) | 57.1 |
| 13 (C) | 46.8 |
| 14 (CH) | 49.1 |
| 15 (CH2) | 24.6 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 53.8 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 16.1 |
| 20 (CH) | 35.4 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 33.6 |
| 23 (CH2) | 31.2 |
| 24 (C) | 148 |
| 25 (CH) | 45.1 |
| 26 (C) | 179.7 |
| 27 (CH3) | 16 |
| 28 (CH3) | 11.2 |
| 24a (CH2) | 111.2 |
