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Home > Other Heterocycles > 66516-24-3
66516-24-3 | spirostan-3,11-diol
CAS No: 66516-24-3 Catalog No: AG006KRG MDL No:
Product Description
Catalog Number:
AG006KRG
Chemical Name:
spirostan-3,11-diol
CAS Number:
66516-24-3
Molecular Formula:
C27H44O4
Molecular Weight:
432.6359
IUPAC Name:
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-11,16-diol
InChI:
InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)23-22(31-27)12-20-19-6-5-17-11-18(28)8-9-25(17,3)24(19)21(29)13-26(20,23)4/h15-24,28-29H,5-14H2,1-4H3
InChI Key:
IVURHZJIYJKPLX-UHFFFAOYSA-N
SMILES:
CC1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CCC3[C@]([C@H]1C(C2)O)(C)CCC(C3)O)C
NSC Number:
113010
Properties
Complexity:
726
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.324g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.645g/mol
Monoisotopic Mass:
432.324g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
13
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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