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14-Demethyl-lanosterol-d6

CAT: 0926-WZB29830Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB29830Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246298-30-5
Smiles
C[C@]12CCC ([C@] (CC[C@H] (O) C3 (C ([2H]) ([2H]) [2H]) C ([2H]) ([2H]) [2H]) (C) C3CC4) =C4C1CC[C@]2 ([H]) [C@] ([H]) (C) CCC=C (C) C
Molecular Formula
C29H42D6O
Molecular Weight
418.73 g/mol
Controlled
No

Chemical Information

14-Demethyl-lanosterol-d6
CAS Number1246298-30-5
PubChem CID136212453
IUPAC Name(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-4,4-bis(trideuteriomethyl)-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Molecular FormulaC29H48O
Molecular Weight418.7
XLogP8.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity723
SMILES
[2H]C([2H])([2H])C1([C@H](CC[C@]2(C1CCC3=C2CC[C@]4(C3CC[C@@H]4[C@H](C)CCC=C(C)C)C)C)O)C([2H])([2H])[2H]
InChI
InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22-,23?,25?,26+,28-,29-/m1/s1/i4D3,5D3
InChIKey
CHGIKSSZNBCNDW-SWCUYMAQSA-N
Chemical Structure
2D Structure
2D structure of 14-Demethyl-lanosterol-d6
CAS: 1246298-30-5
CID: 136212453
Formula: C29H48O
MW: 418.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.7
XLogP38.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass418.408176626
Monoisotopic Mass418.408176626
Topological Polar Surface Area20.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity723
Isotope Atom Count6
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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