2-Angeloyl ent-dihydrotucumanoic acid

2-Angeloyl ent-dihydrotucumanoic acid

Common Name: 2-Angeloyl ent-dihydrotucumanoic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H42O6/c1-8-16(3)22(29)31-18-14-19-23(5,11-9-15(2)13-20(26)27)17(4)10-12-24(19,6)25(7,30)21(18)28/h8,15,17-19,21,28,30H,9-14H2,1-7H3,(H,26,27)/b16-8-/t15-,17-,18-,19-,21-,23+,24-,25+/m0/s1

InChIKey: InChIKey=OTXKTQXPSVVIOE-BKLFMWNLSA-N

Formula: C25H42O6

Molecular Weight: 438.598339

Exact Mass: 438.298139

NMR Solvent: CDDl3 + DMSO-d6

MHz:

Calibration:

NMR references: 13C - Martinez, R., Calderon, J.S., Toscano, R.A., Valle-Aguilera, L., Mendoza-Candelaria, H.M. Phytochemistry (1994) 35, 1505-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 26.7
2 (CH) 73.6
3 (CH) 76.5
4 (C) 76.9
5 (C) 40.5
6 (CH2) 29.5
7 (CH2) 22.3
8 (CH) 35.7
9 (C) 38.5
10 (CH) 38.9
11 (CH2) 36
12 (CH2) 32
13 (CH) 30.8
14 (CH2) 41.6
15 (C) 175.5
16 (CH3) 18.7
17 (CH3) 16
18 (CH3) 20.8
19 (CH3) 20
20 (CH3) 17.3
2a (C) 167
2b (C) 137
2c (CH) 128.5
2d (CH3) 15.9
2ba (CH3) 21.6