3β-Hydroxy-19-nor-ent-trachylob-4(18)-ene-14,15-dione

3β-Hydroxy-19-nor-ent-trachylob-4(18)-ene-14,15-dione

Common Name: 3β-Hydroxy-19-nor-ent-trachylob-4(18)-ene-14,15-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H24O3/c1-9-10-4-7-19-13(17(10,2)6-5-12(9)20)8-11-14(15(19)21)18(11,3)16(19)22/h10-14,20H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+,17-,18+,19+/m1/s1

InChIKey: InChIKey=YHFMNHWCXYOMKE-OUYFYLLSSA-N

Formula: C19H24O3

Molecular Weight: 300.392775

Exact Mass: 300.172545

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Baccelli, C., Navarro, I., Block, S., Abad, A., More, N., Quetin-Leclercq, J. J Nat Prod (2007) 70, 910-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trachylobanes; 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) 33.4
2 (CH2) 29.35
3 (CH) 72.8
4 (C) 150.61
5 (CH) 43.49
6 (CH2) 19.76
7 (CH2) 20.96
8 (C) 55.68
9 (CH) 58
10 (C) 40.49
11 (CH2) 19.88
12 (CH) 43.26
13 (CH) 47.16
14 (C) 207.16
15 (C) 206.18
16 (C) 49.31
17 (CH3) 12.85
18 (CH2) 110.35
20 (CH3) 11.16