Spicachlorantins D

Spicachlorantins D

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)

Carbon NMR Peaks

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