Spektraris NMR
(16S,20R)-16,20-Dihydroxydammara-24-ene-3-one
Common Name: (16S,20R)-16,20-Dihydroxydammara-24-ene-3-one
Synonyms: (16S,20R)-16,20-Dihydroxydammara-24-ene-3-one
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-19(2)10-9-15-30(8,33)25-20-11-12-23-27(5)16-14-24(32)26(3,4)22(27)13-17-28(23,6)29(20,7)18-21(25)31/h10,20-23,25,31,33H,9,11-18H2,1-8H3/t20-,21+,22+,23-,25-,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=BRWOXWOYTSNQRP-HTSMUQQKSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Provan G.J., Waterman P.G. Phytochemistry (1986) 25, 917-922
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) | 39.7 |
| 2 (CH2) | 34 |
| 3 (C) | 217.6 |
| 4 (C) | 47.3 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 34.5 |
| 8 (C) | 40 |
| 9 (CH) | 49.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 51.4 |
| 14 (C) | 47.6 |
| 15 (CH2) | 43.5 |
| 16 (CH) | 74.2 |
| 17 (CH) | 40.8 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 15.6 |
| 20 (C) | 75.5 |
| 21 (CH3) | 25.9 |
| 22 (CH2) | 43.2 |
| 23 (CH2) | 22.4 |
| 24 (CH) | 124.5 |
| 25 (C) | 131.6 |
| 26 (CH3) | 25.6 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 26.6 |
| 29 (CH3) | 20.9 |
| 30 (CH3) | 15.7 |
