(16S)-ent-16,17-Dihydroxy-19-nor-kaur-4-en-3-one

(16S)-ent-16,17-Dihydroxy-19-nor-kaur-4-en-3-one

Common Name: (16S)-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-HWDJUHOGSA-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) 36.7
2 (CH2) 36.3
3 (C) 199.1
4 (C) 128.3
5 (C) 164
6 (CH2) 26.5
7 (CH2) 39
8 (C) 40.6
9 (CH) 54.8
10 (C) 43.2
11 (CH2) 19.2
12 (CH2) 26
13 (CH) 40.7
14 (CH2) 33.3
15 (CH2) 51.4
16 (C) 79.7
17 (CH2) 69.8
18 (CH3) 11.1
20 (CH3) 20