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120061-96-3 | Cycloprop[2,3]indeno[5,6-b]furan-2(4H)-one, 4a,5,5a,6,6a,6b-hexahydro-3,5-bis(hydroxymethyl)-6b-methyl-, (4aS,5R,5aS,6aR,6bS)-
CAS No: 120061-96-3 Catalog No: AG000Q81 MDL No:
Product Description
Catalog Number:
AG000Q81
Chemical Name:
Cycloprop[2,3]indeno[5,6-b]furan-2(4H)-one, 4a,5,5a,6,6a,6b-hexahydro-3,5-bis(hydroxymethyl)-6b-methyl-, (4aS,5R,5aS,6aR,6bS)-
CAS Number:
120061-96-3
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
(1S,9S,10R,12S,13R)-4,13-bis(hydroxymethyl)-9-methyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one
InChI:
InChI=1S/C15H18O4/c1-15-4-13-8(10(6-17)14(18)19-13)3-12(15)9(5-16)7-2-11(7)15/h4,7,9,11-12,16-17H,2-3,5-6H2,1H3/t7-,9-,11-,12+,15+/m1/s1
InChI Key:
ULWLTEZXDAFDPV-DIZHWTHNSA-N
SMILES:
OC[C@@H]1[C@H]2C[C@H]2[C@]2([C@H]1CC1=C(CO)C(=O)OC1=C2)C
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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