(1R)-1-Isopropyl-3abeta,6-dimethyl-1,2,3,3a,4,7,8,8aalpha-octahydroazulene-1beta,3alpha,4beta,8alpha-tetraol 3-acetate 4-cinnamate 8-[(2Z)-2-methyl-2-butenoate]

(1R)-1-Isopropyl-3abeta,6-dimethyl-1,2,3,3a,4,7,8,8aalpha-octahydroazulene-1beta,3alpha,4beta,8alpha-tetraol 3-acetate 4-cinnamate 8-[(2Z)-2-methyl-2-butenoate]

Common Name: (1R)-1-Isopropyl-3abeta,6-dimethyl-1,2,3,3a,4,7,8,8aalpha-octahydroazulene-1beta,3alpha,4beta,8alpha-tetraol 3-acetate 4-cinnamate 8-[(2Z)-2-methyl-2-butenoate]

Synonyms: (1R)-1-Isopropyl-3abeta,6-dimethyl-1,2,3,3a,4,7,8,8aalpha-octahydroazulene-1beta,3alpha,4beta,8alpha-tetraol 3-acetate 4-cinnamate 8-[(2Z)-2-methyl-2-butenoate]

CAS Registry Number:

InChI: InChI=1S/C31H40O7/c1-8-21(5)29(34)37-24-16-20(4)17-25(38-27(33)15-14-23-12-10-9-11-13-23)30(7)26(36-22(6)32)18-31(35,19(2)3)28(24)30/h8-15,17,19,24-26,28,35H,16,18H2,1-7H3/b15-14+,21-8-/t24-,25-,26-,28+,30-,31+/m0/s1

InChIKey: InChIKey=SZOFJDHXUVIJBB-AZZYWZRLSA-N

Formula: C31H40O7

Molecular Weight: 524.646277

Exact Mass: 524.277404

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmed, A.A., Bishr, M.M., El-Shanawany, M.A., Attia, E.Z., Ross, S.A., Pare, P.W. Phytochemistry (2005) 66, 1680-4

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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 (C) 51
2 (CH) 79.5
3 (CH2) 39.3
4 (C) 85.5
5 (CH) 54.5
6 (CH) 68.8
7 (CH2) 41.1
8 (C) 127.4
9 (CH) 128.6
10 (CH) 75.3
11 (CH) 36.9
12 (CH3) 17.4
13 (CH3) 18.1
14 (CH3) 26
15 (CH3) 15.3
1' (C) 168.2
2' (C) 127.4
3' (CH) 140.1
4' (CH3) 15.9
5' (CH3) 20.4
1'' (C) 166.2
2'' (CH) 117.8
3'' (CH) 145.1
4'' (C) 134.2
5'' (CH) 128.8
6'' (CH) 128.2
7'' (CH) 130.4
8'' (CH) 128.2
9'' (CH) 128.8
2a (C) 170.1
2b (CH3) 20.8