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Glutinone

CAT: 0926-FG42643-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FG42643-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
508-09-8
MDL Number
MFCD20260715
Smiles
C[C@@]12CC[C@@]3 ([C@H]4CC=C5[C@H] ([C@@]4 (CC[C@]3 ([C@@H]1CC (CC2) (C) C) C) C) CCC (=O) C5 (C) C) C
Controlled
No

Chemical Information

Glutinone

Glutinone is a member of cyclohexanones.

CAS Number508-09-8
PubChem CID10071029
IUPAC Name(6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-2,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-1H-picen-3-one
Molecular FormulaC30H48O
Molecular Weight424.7
XLogP8.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity831
SMILES
C[C@@]12CC[C@@]3([C@H]4CC=C5[C@H]([C@@]4(CC[C@]3([C@@H]1CC(CC2)(C)C)C)C)CCC(=O)C5(C)C)C
InChI
InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28+,29-,30+/m1/s1
InChIKey
XUPCBKGIPJPDGW-VZTATICASA-N
Chemical Structure
2D Structure
2D structure of Glutinone
CAS: 508-09-8
CID: 10071029
Formula: C30H48O
MW: 424.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.7
XLogP38.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass424.370516150
Monoisotopic Mass424.370516150
Topological Polar Surface Area17.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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