Spektraris NMR
(20S)-3b-Hydroxy- 25,26,27-trisnordammaran-24,20-olide
Common Name: (20S)-3b-Hydroxy- 25,26,27-trisnordammaran-24,20-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O4/c1-18(30)32-23-12-14-26(4)21(25(23,2)3)11-16-28(6)22(26)9-8-19-20(10-15-27(19,28)5)29(7)17-13-24(31)33-29/h19-23H,8-17H2,1-7H3/t19-,20+,21+,22-,23+,26+,27-,28-,29+/m1/s1
InChIKey: InChIKey=CKGAIIJMVWESST-MKCCLLTBSA-N
Formula: C29H46O4
Molecular Weight: 458.674235
Exact Mass: 458.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Tokuda, H., Ukiya, M., Suzuki, T., Enjo, F., Koike, K., Nikaido, T., Nishino, H. Chem Pharm Bull (2004) 52, 153-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 38.8 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 80.9 |
| 4 (C) | 38 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 35.5 |
| 8 (C) | 40.5 |
| 9 (CH) | 50.6 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 26.9 |
| 13 (CH) | 43.2 |
| 14 (C) | 50.2 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 25.1 |
| 17 (CH) | 49.4 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 16.3 |
| 20 (C) | 90.2 |
| 21 (CH3) | 25.4 |
| 22 (CH2) | 31.3 |
| 23 (CH2) | 29.2 |
| 24 (C) | 176.8 |
| 28 (CH3) | 28 |
| 29 (CH3) | 16.6 |
| 30 (CH3) | 16.4 |
| 3a (C) | 171.1 |
| 3b (CH3) | 21.3 |
