ent-11a-hydroxy-3,12-dioxo-13-epi-manoyl oxide

ent-11a-hydroxy-3,12-dioxo-13-epi-manoyl oxide

Common Name: ent-11a-hydroxy-3,12-dioxo-13-epi-manoyl oxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-7-19(5)16(23)14(22)15-18(4)10-9-13(21)17(2,3)12(18)8-11-20(15,6)24-19/h7,12,14-15,22H,1,8-11H2,2-6H3/t12-,14-,15+,18-,19+,20+/m1/s1

InChIKey: InChIKey=ZWUUIQFQCBMZJM-PJBSWFGBSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Linan, E., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1995) 38, 1237-44

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 39.5
2 (CH2) 33.9
3 (C) 217.3
4 (C) 47.6
5 (CH) 54.5
6 (CH2) 20.7
7 (CH2) 42.1
8 (C) 76.8
9 (CH) 61.1
10 (C) 38.6
11 (CH) 72.2
12 (C) 210.8
13 (C) 82.4
14 (CH) 143
15 (CH2) 113.3
16 (CH3) 28
17 (CH3) 21
18 (CH3) 27.3
19 (CH3) 20.8
20 (CH3) 15.3