Common Name: Spicachlorantins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H44O14/c1-16-8-9-50-26(41)6-7-27(42)51-14-18-19-12-24-35(3,20-10-23(20)38(24,48)15-52-31(16)43)25-13-37(47)22-11-21(22)36(4)30(37)29(39(19,25)53-33(18)45)28-17(2)32(44)54-40(28,49-5)34(36)46/h8,20-25,34,46-48H,6-7,9-15H2,1-5H3/b16-8+/t20-,21-,22+,23+,24-,25+,34-,35+,36+,37+,38+,39+,40+/m1/s1
InChIKey: InChIKey=NASSYBOEZYWDCR-CTCIEULHSA-N
Formula: C40H44O14
Molecular Weight: 748.770498
Exact Mass: 748.273106
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. Phytochemistry Lett (2009) 2, 110-3
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) | 29.2 |
2 (CH2) | 9.6 |
3 (CH) | 29.7 |
4 (C) | 77.5 |
5 (C) | 164.3 |
6 (C) | 122.4 |
7 (C) | 150.8 |
8 (C) | 105 |
9 (CH) | 75.5 |
10 (C) | 49.7 |
11 (C) | 125.7 |
12 (C) | 170.8 |
13 (CH3) | 10.7 |
14 (CH3) | 14 |
15 (CH2) | 40.2 |
1' (CH) | 26.4 |
2' (CH2) | 10.3 |
3' (CH) | 29 |
4' (C) | 77.5 |
5' (CH) | 55.8 |
6' (CH2) | 23.5 |
7' (C) | 174 |
8' (C) | 85.3 |
9' (CH) | 51.2 |
10' (C) | 45 |
11' (C) | 123.3 |
12' (C) | 171.3 |
13' (CH2) | 53.7 |
14' (CH3) | 24.1 |
15' (CH2) | 72.8 |
1'' (C) | 167.6 |
2'' (C) | 130.5 |
3'' (CH) | 135.6 |
4'' (CH2) | 60.8 |
5'' (CH3) | 12.8 |
6'' (C) | 171.8 |
7'' (CH2) | 28.8 |
8'' (CH2) | 29 |
9'' (C) | 171.8 |
8a (CH3) | 52.2 |