Santonin
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Product Description
Product
Santonin
CAS
481-06-1
Formula
C15H18O3
Synonym
SANTONIN; SANTONIN, A-; Santoninic anhydride; Santoninum; Semenen; UNII-1VL8J38ERO; (-)-a-Santonin; (-)-Santonin; (-)-Santonine; (3S)-2,3,3a,4,5,5a,8,9bbeta-Octahydro-3,5abeta,9-trimethylnaphtho(1,2-b)furan-2,8-dion; (3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-Octahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8-dione; (3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione; [3S-(3a,3aa,5aß,9bß)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)dione; [3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)dione; 1,2,3,4,4a,7-Hexahydro-1-hydroxy-a, 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid ?-lactone; 1,2,3,4,4a,7-Hexahydro-1-hydroxy-alpha, 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid gamma-lactone; 11-Epiisoeusantona-1,4-dienic acid, 6a-hydroxy-3-oxo-, ?-lactone; 11-Epiisoeusantona-1,4-dienic acid, 6alpha-hydroxy-3-oxo-, gamma-lactone; 2-b)puran-2,8(3h,4h)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-naphtho(; 2-b]furan-2,8(3h,4h)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-naphtho[; AI3-19471; alpha-Santonin; a-Santonin; a-Santonine; EINECS 207-560-7; Eudesma-1,4-dien-12-oic acid, 6a-hydroxy-3-oxo-, ?-lactone, (11S)-; Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-; Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-(-)-; L-alpha-Santonin; l-a-Santonin; Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-; Naphtho(1,2-b)puran-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-; Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3a,3aa,5aß,9bß)]-; NSC 41311; NSC 4900
Typical Product Specifications
Molecular weight
246.30
EINECS
207-560-7
SMILES
C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C
InChI
1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
InChIKey
XJHDMGJURBVLLE-BOCCBSBMSA-N
Water solubility
200 mg/L
Melting Point
175 ° C
Henry's Law Constant
5.27E-08 atm-m3/mole
Atmospheric OH Rate Constant
5.83E-11 cm3/molecule-sec
Vapor Pressure
2.38E-06 mm Hg
log P (octanol-water)
1.780
Refractive Index
-172.5 ° (C=2, CHCl3)
Storage Temperature
2-8°C
Melting Point
172-173 °C
Merck
8361
Class
Santonin
Product Description
Product
Santonin
CAS
481-06-1
Formula
C15H18O3
Synonym
SANTONIN; SANTONIN, A-; Santoninic anhydride; Santoninum; Semenen; UNII-1VL8J38ERO; (-)-a-Santonin; (-)-Santonin; (-)-Santonine; (3S)-2,3,3a,4,5,5a,8,9bbeta-Octahydro-3,5abeta,9-trimethylnaphtho(1,2-b)furan-2,8-dion; (3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-Octahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8-dione; (3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione; [3S-(3a,3aa,5aß,9bß)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)dione; [3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)dione; 1,2,3,4,4a,7-Hexahydro-1-hydroxy-a, 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid ?-lactone; 1,2,3,4,4a,7-Hexahydro-1-hydroxy-alpha, 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid gamma-lactone; 11-Epiisoeusantona-1,4-dienic acid, 6a-hydroxy-3-oxo-, ?-lactone; 11-Epiisoeusantona-1,4-dienic acid, 6alpha-hydroxy-3-oxo-, gamma-lactone; 2-b)puran-2,8(3h,4h)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-naphtho(; 2-b]furan-2,8(3h,4h)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-naphtho[; AI3-19471; alpha-Santonin; a-Santonin; a-Santonine; EINECS 207-560-7; Eudesma-1,4-dien-12-oic acid, 6a-hydroxy-3-oxo-, ?-lactone, (11S)-; Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-; Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-(-)-; L-alpha-Santonin; l-a-Santonin; Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-; Naphtho(1,2-b)puran-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-; Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3a,3aa,5aß,9bß)]-; NSC 41311; NSC 4900
Typical Product Specifications
Molecular weight
246.30
EINECS
207-560-7
SMILES
C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C
InChI
1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
InChIKey
XJHDMGJURBVLLE-BOCCBSBMSA-N
Water solubility
200 mg/L
Melting Point
175 ° C
Henry's Law Constant
5.27E-08 atm-m3/mole
Atmospheric OH Rate Constant
5.83E-11 cm3/molecule-sec
Vapor Pressure
2.38E-06 mm Hg
log P (octanol-water)
1.780
Refractive Index
-172.5 ° (C=2, CHCl3)
Storage Temperature
2-8°C
Melting Point
172-173 °C
Merck
8361
Class
