Common Name: Spicachlorantins D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H44O15/c1-16-8-28(43)53-15-38(48)22-9-20(22)36(3)24(38)11-19-18(14-52-27(42)7-6-26(41)51-13-16)35(47)54-40(19)25(36)12-39(55-49)23-10-21(23)37(4)32(39)30(40)29(31(44)33(37)45)17(2)34(46)50-5/h8,20-25,33,45,48-49H,6-7,9-15H2,1-5H3/b16-8+,29-17-/t20-,21-,22+,23+,24-,25+,33+,36+,37+,38+,39+,40+/m1/s1
InChIKey: InChIKey=WHZVDRCEHYLPGD-RERXTAQQSA-N
Formula: C40H44O15
Molecular Weight: 764.769903
Exact Mass: 764.268021
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kim, S.Y., Kashiwada, Y., Kawazoe, K., Murakami, K., Sun, H.D., Li, S.L., Takaishi, Y. Tetrahedron Lett (2009) 50, 6032-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Lindenanes; 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 (CH) | 25.8 |
2 (CH2) | 8.1 |
3 (CH) | 27.7 |
4 (C) | 90.6 |
5 (C) | 158.5 |
6 (C) | 126.9 |
7 (C) | 142.8 |
8 (C) | 198.9 |
9 (CH) | 77.8 |
10 (C) | 50.2 |
11 (C) | 129.3 |
12 (C) | 169.7 |
13 (CH3) | 20.8 |
14 (CH3) | 15.1 |
15 (CH2) | 37 |
1' (CH) | 27.2 |
2' (CH2) | 10.4 |
3' (CH) | 28.6 |
4' (C) | 77.8 |
5' (CH) | 57.4 |
6' (CH2) | 24.3 |
7' (C) | 172.2 |
8' (C) | 87.4 |
9' (CH) | 52.5 |
10' (C) | 44.9 |
11' (C) | 124.5 |
12' (C) | 171.4 |
13' (CH2) | 55.4 |
14' (CH3) | 23.8 |
15' (CH2) | 71.3 |
1'' (C) | 166.1 |
2'' (CH) | 113.2 |
3'' (C) | 154.2 |
4'' (CH2) | 66.1 |
5'' (CH3) | 15.8 |
6'' (C) | 171.4 |
7'' (CH2) | 29.1 |
8'' (CH2) | 29 |
9'' (C) | 171.7 |
12a (CH3) | 52.7 |