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20237-54-1 | Cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one, 7-acetyltetradecahydro-4a,6a-dimethyl-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-
CAS No: 20237-54-1 Catalog No: AG00286Z MDL No:
Product Description
Catalog Number:
AG00286Z
Chemical Name:
Cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one, 7-acetyltetradecahydro-4a,6a-dimethyl-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-
CAS Number:
20237-54-1
Molecular Formula:
C20H30O3
Molecular Weight:
318.4504
IUPAC Name:
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one
InChI:
InChI=1S/C20H30O3/c1-12(21)14-5-6-15-13-4-7-17-20(3,11-9-18(22)23-17)16(13)8-10-19(14,15)2/h13-17H,4-11H2,1-3H3/t13-,14+,15-,16-,17+,19+,20+/m0/s1
InChI Key:
GCEHEWIASHOPAU-BDVJJGLGSA-N
SMILES:
O=C1CC[C@]2([C@H](O1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
NSC Number:
56251
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
318.219g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.457g/mol
Monoisotopic Mass:
318.219g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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