Tricalysioside J

Tricalysioside J

Common Name: Tricalysioside J

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H44O11/c1-14(31)38-24-27-9-6-17-25(2,8-7-19(32)26(17,3)12-30)18(27)5-4-15(10-27)28(24,36)13-37-23-22(35)21(34)20(33)16(11-29)39-23/h12,15-24,29,32-36H,4-11,13H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23-,24-,25-,26+,27-,28+/m1/s1

InChIKey: InChIKey=LUZSIDHOUJUSHA-HRSAQIEZSA-N

Formula: C28H44O11

Molecular Weight: 556.643452

Exact Mass: 556.288362

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - He, D.H., Matsunami, K., Otsuka, H., Shinzato, T., Aramoto, M., Bando, M., Takeda, Y. Phytochemistry (2005) 66, 2857-64

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 35.9
2 (CH2) 28.6
3 (CH) 76.1
4 (C) 53.3
5 (CH) 56.4
6 (CH2) 20.2
7 (CH2) 38.2
8 (C) 47.3
9 (CH) 54.1
10 (C) 39.3
11 (CH2) 19
12 (CH2) 25.7
13 (CH) 44.7
14 (CH2) 36.6
15 (CH) 83.8
16 (C) 81.1
17 (CH2) 75.3
18 (CH3) 21.5
19 (CH) 207.5
20 (CH3) 18.2
1' (CH) 106.8
2' (CH) 75.5
3' (CH) 78.6
4' (CH) 71.7
5' (CH) 78.3
6' (CH2) 62.7
1ea (C) 171.2
1eb (CH3) 21.1