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2H-10,1a-(Epoxymethano)oxireno[4,5]cyclodeca[1,2-b]furan-12-one,3,6,10,10a-tetrahydro-5,9-dimethyl-, (1aS,4E,10S,10aS)- (13476-25-0)

Identification
Name:2H-10,1a-(Epoxymethano)oxireno[4,5]cyclodeca[1,2-b]furan-12-one,3,6,10,10a-tetrahydro-5,9-dimethyl-, (1aS,4E,10S,10aS)-
Synonyms:2H-10,1a-(Epoxymethano)oxireno[4,5]cyclodeca[1,2-b]furan-12-one,3,6,10,10a-tetrahydro-5,9-dimethyl-, [1aS-(1aR*,4E,10R*,10aR*)]-;4bH-Germacra-1(10),7,11-trien-15-oicacid, 4,5b:8,12-diepoxy-6a-hydroxy-, g-lactone, (E)- (8CI);Linderane(7CI);Linderane;
CAS:13476-25-0
Molecular Formula: C15H16O4
Molecular Weight: 260.29
InChI: InChI=1/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15?/m0/s1
Molecular Structure: (C15H16O4) 2H-10,1a-(Epoxymethano)oxireno[4,5]cyclodeca[1,2-b]furan-12-one,3,6,10,10a-tetrahydro-5,9-dimethyl-,...
Properties
Melting Point: 190-191 ºC
Density:1.3 g/cm3
Refractive index:1.589
Specification:

The CAS register number of Linderane is 13476-25-0. It also can be called as 2H-10,1a-(Epoxymethano)oxireno(4,5)cyclodeca(1,2-b)furan-12-one, 3,6,10,10a-tetrahydro-5,9-methyl-, (1aS-(1aR*,4E,10R*,10aR*))- and the systematic name about this chemical is (1aS,10S,10aS)-5,9-dimethyl-3,6,10,10a-tetrahydro-2H-10,1a-(epoxymethano)oxireno[4,5]cyclodeca[1,2-b]furan-12-one. The molecular formula about this chemical is C15H16O4 and the molecular weight is 260.29.

Physical properties about Linderane are: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 46; (5)ACD/BCF (pH 7.4): 46; (6)ACD/KOC (pH 5.5): 541; (7)ACD/KOC (pH 7.4): 541; (8)#H bond acceptors: 4; (9)Polar Surface Area: 51.97Å2; (10)Index of Refraction: 1.589; (11)Molar Refractivity: 67.274 cm3; (12)Molar Volume: 199.753 cm3; (13)Polarizability: 26.67x10-24cm3; (14)Surface Tension: 49.371 dyne/cm; (15)Enthalpy of Vaporization: 69.064 kJ/mol; (16)Boiling Point: 434.507 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC=4Cc1occ(C)c1[C@@H]2OC(=O)[C@]3(O[C@@H]23)CCC=4
(2)InChI: InChI=1/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15-/m0/s1
(3)InChIKey: KBMSVODXFLAQNJ-DXGHHDSJBS
(4)Std. InChI: InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15-/m0/s1
(5)Std. InChIKey: KBMSVODXFLAQNJ-DXGHHDSJSA-N

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