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122923-02-8

122923-02-8 | 1,5-Epoxynaphthalene-1(4H)-methanol, 4a,5,6,7,8,8a-hexahydro-6,8-bis(methoxymethoxy)-α,7-dimethyl-α-1-propynyl-, [1α,1(S*),4aβ,5α,6β,7β,8α,8aβ]- (9CI)

CAS No: 122923-02-8 Catalog No: AG000JSP MDL No:

Product Description

Catalog Number:
AG000JSP
Chemical Name:
1,5-Epoxynaphthalene-1(4H)-methanol, 4a,5,6,7,8,8a-hexahydro-6,8-bis(methoxymethoxy)-α,7-dimethyl-α-1-propynyl-, [1α,1(S*),4aβ,5α,6β,7β,8α,8aβ]- (9CI)
CAS Number:
122923-02-8
Molecular Formula:
C20H30O6
Molecular Weight:
366.4486
IUPAC Name:
2-[8,10-bis(methoxymethoxy)-9-methyl-2-oxatricyclo[5.4.0.03,8]undec-6-en-6-yl]pent-3-yn-2-ol
InChI:
InChI=1S/C20H30O6/c1-6-9-19(3,21)14-7-8-17-20(25-12-23-5)13(2)15(24-11-22-4)10-16(26-17)18(14)20/h13,15-17,21H,7-8,10-12H2,1-5H3
InChI Key:
VNJXWASJSACRCA-UHFFFAOYSA-N
SMILES:
COCOC12C3CCC(=C2C(O3)CC(C1C)OCOC)C(C#CC)(O)C

Properties

Complexity:
631  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.204g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
366.454g/mol
Monoisotopic Mass:
366.204g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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