Janerin(CAS No. 64205-84-1)

Janerin C19H22O7 (cas 64205-84-1) Molecular Structure

64205-84-1 Structure

Identification and Related Records

【Name】
Janerin
【Iupac name】
(8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,
9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl)
2-(hydroxymethyl)prop-2-enoate
【CAS Registry number】
64205-84-1
【Synonyms】
2-(Hydroxymethyl)propenoic acid (3aR,9R)-3,3aβ,4,5,6,6aβ,7,8,9aβ,9bα-decahydro-8α-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2'-oxirane]-4β-yl ester
3-Hydroxy-2-methylenepropionic acid [(3aR,6aβ,9R,9aβ,9bα)-decahydro-8α-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2'-oxiran]]-4β-yl ester
Janerin
JANERIN(SH)
【Molecular Formula】
C19H22O7 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C19H22O7/c1-8-4-12(25-17(22)9(2)6-20)14-10(3)18(23)26-16(14)15-11(8)5-13(21)19(15)7-24-19/h11-16,20-21H,1-7H2
【Canonical SMILES】
C=C1CC(C2C(C3C1CC(C34CO4)O)OC(=O)C2=C)OC(=O)C(=C)CO

Chemical and Physical Properties

【Density】
1.38g/cm3
【Boiling Point】
606.4°C at 760 mmHg
【Refractive Index】
1.592
【Flash Point】
219.9°C
【Computed Properties】
Molecular Weight:362.37378 [g/mol]
Molecular Formula:C19H22O7
XLogP3-AA:0.1
H-Bond Donor:2
H-Bond Acceptor:7
Rotatable Bond Count:4
Exact Mass:362.136553
MonoIsotopic Mass:362.136553
Topological Polar Surface Area:106
Heavy Atom Count:26
Formal Charge:0
Complexity:725
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Supplier Location

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