Spektraris NMR
(20S)-3beta,16beta,20,25-Tetrahydroxydammara-23-ene
Common Name: (20S)-3beta,16beta,20,25-Tetrahydroxydammara-23-ene
Synonyms: (20S)-3beta,16beta,20,25-Tetrahydroxydammara-23-ene
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-25(2,33)14-9-15-30(8,34)24-19-10-11-22-27(5)16-13-23(32)26(3,4)21(27)12-17-28(22,6)29(19,7)18-20(24)31/h9,14,19-24,31-34H,10-13,15-18H2,1-8H3/b14-9+/t19-,20+,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=MUBXJZNIPHBTRG-SUIWMTGTSA-N
Formula: C30H52O4
Molecular Weight: 476.732616
Exact Mass: 476.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Manguro, L.O., Ugi, I., Hermann, R., Lemmen, P Phytochemistry (2003) 63, 497-502
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) | 38.2 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 75 |
| 4 (C) | 40 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 35.3 |
| 8 (C) | 41.2 |
| 9 (CH) | 51.3 |
| 10 (C) | 36.5 |
| 11 (CH2) | 22 |
| 12 (CH2) | 27.1 |
| 13 (CH) | 51.1 |
| 14 (C) | 52 |
| 15 (CH2) | 43.2 |
| 16 (CH) | 74.6 |
| 17 (CH) | 42 |
| 18 (CH3) | 19 |
| 19 (CH3) | 16 |
| 20 (C) | 76.3 |
| 21 (CH3) | 25.9 |
| 22 (CH2) | 34.4 |
| 23 (CH) | 127.5 |
| 24 (CH) | 138.4 |
| 25 (C) | 81.6 |
| 26 (CH3) | 25.3 |
| 27 (CH3) | 25 |
| 28 (CH3) | 22.2 |
| 29 (CH3) | 14 |
| 30 (CH3) | 18.3 |
