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Home > Other Heterocycles > 74399-38-5
74399-38-5 | Spiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxirane]-2,4(1aH,3bH)-dione,tetrahydro-7-hydroxy-3a,5,5-trimethyl-, [1aS-(1aa,3b,3ab,3ba,6aa,7b,7aS*)]- (9CI)
CAS No: 74399-38-5 Catalog No: AG005LNS MDL No:
Product Description
Catalog Number:
AG005LNS
Chemical Name:
Spiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxirane]-2,4(1aH,3bH)-dione,tetrahydro-7-hydroxy-3a,5,5-trimethyl-, [1aS-(1aa,3b,3ab,3ba,6aa,7b,7aS*)]- (9CI)
CAS Number:
74399-38-5
Molecular Formula:
C15H18O5
Molecular Weight:
278.3004
IUPAC Name:
2-hydroxy-5,5,8-trimethylspiro[12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-9,2'-oxirane]-6,10-dione
InChI:
InChI=1S/C15H18O5/c1-12(2)4-6-7(9(12)17)13(3)14(5-19-14)10(18)11-15(13,20-11)8(6)16/h6-8,11,16H,4-5H2,1-3H3
InChI Key:
NHEJSSWUXKQMQR-UHFFFAOYSA-N
SMILES:
OC1C2CC(C(=O)C2C2(C31OC3C(=O)C12CO1)C)(C)C
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.304g/mol
Monoisotopic Mass:
278.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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