Spektraris NMR
(16R)-ent-16,17-Dihydroxy-19-nor-kaur-4-en-3-one
Common Name: (16R)-ent-16,17-Dihydroxy-19-nor-kaur-4-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O3/c1-12-14-5-8-18-9-13(19(22,10-18)11-20)3-4-16(18)17(14,2)7-6-15(12)21/h13,16,20,22H,3-11H2,1-2H3/t13-,16+,17-,18+,19+/m1/s1
InChIKey: InChIKey=CBPWJAQCXCEEKA-WHUJPVCOSA-N
Formula: C19H28O3
Molecular Weight: 304.424538
Exact Mass: 304.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ito, A., Chai, H.B., Shin, Y.G., Garcia, R., Mejia, M., Gao, Q., Fairchild, C.R., Lane, K.E., Menendez, A.T., Farnsworth, N.R., Cordell, G.A., Pezzuto, J.M., Kinghorn, A.D. Tetrahedron (2000) 56, 6401-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 36.6 |
| 2 (CH2) | 36.4 |
| 3 (C) | 199.1 |
| 4 (C) | 128.4 |
| 5 (C) | 163.9 |
| 6 (CH2) | 26.6 |
| 7 (CH2) | 39.1 |
| 8 (C) | 40.6 |
| 9 (CH) | 54.6 |
| 10 (C) | 44.3 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 44.9 |
| 14 (CH2) | 33.2 |
| 15 (CH2) | 51.9 |
| 16 (C) | 81.8 |
| 17 (CH2) | 66.1 |
| 18 (CH3) | 11.1 |
| 20 (CH3) | 19.9 |
