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24543-59-7 | Cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one, 11-bromotetradecahydro-7-hydroxy-4a,6a,7-trimethyl-, (4aR,4bS,6aS,7S,9aS,9bR,11S,11aS)-
CAS No: 24543-59-7 Catalog No: AG002OHF MDL No:
Product Description
Catalog Number:
AG002OHF
Chemical Name:
Cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one, 11-bromotetradecahydro-7-hydroxy-4a,6a,7-trimethyl-, (4aR,4bS,6aS,7S,9aS,9bR,11S,11aS)-
CAS Number:
24543-59-7
Molecular Formula:
C19H29BrO3
Molecular Weight:
385.3358
IUPAC Name:
(1S,3aS,3bR,5S,5aS,9aR,9bS,11aS)-5-bromo-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]chromen-7-one
InChI:
InChI=1S/C19H29BrO3/c1-17-7-6-15(21)23-16(17)14(20)10-11-12(17)4-8-18(2)13(11)5-9-19(18,3)22/h11-14,16,22H,4-10H2,1-3H3/t11-,12+,13+,14+,16-,17-,18+,19+/m1/s1
InChI Key:
ZUIGZKIOHUNINA-LWPUPYOYSA-N
SMILES:
O=C1CC[C@]2([C@H](O1)[C@@H](Br)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
384.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.342g/mol
Monoisotopic Mass:
384.13g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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