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114683-04-4 | Cyclopenta[d]naphtho[1,2-b]pyran-2(3H)-one, 4,4a,4b,6,6a,7,8,9,9a,9b,10,11-dodecahydro-7-hydroxy-4a,6a-dimethyl-, (4aS,4bS,6aR,7S,9aS,9bS)-
CAS No: 114683-04-4 Catalog No: AG000F0N MDL No:
Product Description
Catalog Number:
AG000F0N
Chemical Name:
Cyclopenta[d]naphtho[1,2-b]pyran-2(3H)-one, 4,4a,4b,6,6a,7,8,9,9a,9b,10,11-dodecahydro-7-hydroxy-4a,6a-dimethyl-, (4aS,4bS,6aR,7S,9aS,9bS)-
CAS Number:
114683-04-4
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
IUPAC Name:
(1S,2S,10S,11S,14S,15R)-14-hydroxy-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
InChI:
InChI=1S/C18H26O3/c1-17-8-7-12(19)9-11(17)3-4-13-14-5-6-15(20)18(14,2)10-21-16(13)17/h9,13-16,20H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17-,18-/m0/s1
InChI Key:
SLWSAUGGNLVOHT-QQCJEOGWSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2OC[C@]2([C@H]1CC[C@@H]2O)C)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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