ent-3b,7b,12a-Triacetoxy-13-epi-manoyl oxide

ent-3b,7b,12a-Triacetoxy-13-epi-manoyl oxide

Common Name: ent-3b,7b,12a-Triacetoxy-13-epi-manoyl oxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H40O7/c1-10-25(8)21(31-16(3)28)14-19-24(7)12-11-20(30-15(2)27)23(5,6)18(24)13-22(32-17(4)29)26(19,9)33-25/h10,18-22H,1,11-14H2,2-9H3/t18-,19+,20-,21-,22-,24-,25+,26-/m1/s1

InChIKey: InChIKey=XWHHCYCHZJUKPM-FITCUOOFSA-N

Formula: C26H40O7

Molecular Weight: 464.592598

Exact Mass: 464.277404

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) 36.7
2 (CH2) 23.4
3 (CH) 80.3
4 (C) 37.7
5 (CH) 52.9
6 (CH2) 25.1
7 (CH) 81.1
8 (C) 77.3
9 (CH) 48.3
10 (C) 35.7
11 (CH2) 21.2
12 (CH) 70.8
13 (C) 74.8
14 (CH) 146.4
15 (CH2) 111
16 (CH3) 26.9
17 (CH3) 19.1
18 (CH3) 27.9
19 (CH3) 15.8
20 (CH3) 16.3
3a (C) 171
3b (CH3) 21.5
7a (C) 170.9
7b (CH3) 21.3
12a (C) 170.8
12b (CH3) 21.1