3β-caffeoxyl-1β,8α-dihydroxyeudesm-4(15)-ene

3β-caffeoxyl-1β,8α-dihydroxyeudesm-4(15)-ene

Common Name: 3β-caffeoxyl-1β,8α-dihydroxyeudesm-4(15)-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H32O6/c1-13(2)16-10-17-14(3)21(11-22(28)24(17,4)12-20(16)27)30-23(29)8-6-15-5-7-18(25)19(26)9-15/h5-9,13,16-17,20-22,25-28H,3,10-12H2,1-2,4H3/b8-6+/t16-,17+,20+,21+,22-,24-/m1/s1

InChIKey: InChIKey=RWJSJBMIRBOLPS-YEIYPFMPSA-N

Formula: C24H32O6

Molecular Weight: 416.508195

Exact Mass: 416.219889

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hu, H.B., Zheng, X.D., Hu, H.S., Cao, H. Chem Nat Compd (2009) 45, 45-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 78
2 (CH2) 31.8
3 (CH) 81.6
4 (C) 148.6
5 (CH) 56.5
6 (CH2) 25.9
7 (CH) 39.4
8 (CH) 80.7
9 (CH2) 37.2
10 (C) 49.6
11 (CH) 31.4
12 (CH3) 14.8
13 (CH3) 20.6
14 (CH3) 12.3
15 (CH2) 107.7
1' (C) 170.8
2' (CH) 115.8
3' (CH) 147
4' (C) 127.8
5' (CH) 115.1
6' (C) 145.9
7' (C) 149.2
8' (CH) 116.1
9' (CH) 122.8