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)
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 |