2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4
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Product Description
Product
2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4
CAS
24394-09-0
Synonym
CNICIN; cnicine; CYNISIN; EINECS 246-221-8; Germacra-1(10),4,11(13)-trien-12-oic acid, 6-alpha,8-alpha,15-trihydroxy-, 12,6-lactone, 8-(3,4-dihydroxy-2-methylenebutyrate); -lactone,8-(3,4-dihydroxy-2-methylenebutyrate); UNII-C998MWY30L; (3R)-3,4-Dihydroxy-2-methylenebutyric acid (3aR,4S,6E,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester; 2,3,3a,4,5,8,9,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl 3,4-dihydroxy-2-methylenebutyrate; 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutyrate; 3,4-Dihydroxy-2-methylenebutanoic acid 2,3,3A,4,5,8,9,11A-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[B]furan-4-yl ester; Butanoic acid, 3,4-dihydroxy-2-methylene-, 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4S*(R*),6E,10Z,11aR*))-; CENTAURIN
Typical Product Specifications
Molecular weight
378.42
EINECS
246-221-8
SMILES
C\C\1=C/CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)[C@@H](O)CO)\CO
InChI
ZTDFZLVUIVPZDU-QGNHJMHWSA-N
InChIKey
1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1
log P (octanol-water)
0.900
Atmospheric OH Rate Constant
2.38E-10 cm3/molecule-sec
Melting Point
143 ° C
Class
2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4
Product Description
Product
2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4
CAS
24394-09-0
Synonym
CNICIN; cnicine; CYNISIN; EINECS 246-221-8; Germacra-1(10),4,11(13)-trien-12-oic acid, 6-alpha,8-alpha,15-trihydroxy-, 12,6-lactone, 8-(3,4-dihydroxy-2-methylenebutyrate); -lactone,8-(3,4-dihydroxy-2-methylenebutyrate); UNII-C998MWY30L; (3R)-3,4-Dihydroxy-2-methylenebutyric acid (3aR,4S,6E,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester; 2,3,3a,4,5,8,9,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl 3,4-dihydroxy-2-methylenebutyrate; 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutyrate; 3,4-Dihydroxy-2-methylenebutanoic acid 2,3,3A,4,5,8,9,11A-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[B]furan-4-yl ester; Butanoic acid, 3,4-dihydroxy-2-methylene-, 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4S*(R*),6E,10Z,11aR*))-; CENTAURIN
Typical Product Specifications
Molecular weight
378.42
EINECS
246-221-8
SMILES
C\C\1=C/CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)[C@@H](O)CO)\CO
InChI
ZTDFZLVUIVPZDU-QGNHJMHWSA-N
InChIKey
1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1
log P (octanol-water)
0.900
Atmospheric OH Rate Constant
2.38E-10 cm3/molecule-sec
Melting Point
143 ° C
Class
