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Lanosteryl caprylate

CAT: 0931-T32559-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T32559-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124770-75-8
Target
Others
Related Pathways
Others
Bioactivity
Lanosteryl caprylate is a bioactive chemical.
Smiles
C[C@]12C3=C([C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](OC(CCCCCCC)=O)CC4)[H])CC[C@]1(C)[C@@]([C@@H](CCC=C(C)C)C)(CC2)[H]
Molecular Formula
C38H64O2
Molecular Weight
552.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lanosteryl caprylate
CAS Number124770-75-8
PubChem CID14356615
IUPAC Name[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] octanoate
Molecular FormulaC38H64O2
Molecular Weight552.9
XLogP12.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count40
Formal Charge0
Complexity966
SMILES
CCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC=C(C)C)C)C)C
InChI
InChI=1S/C38H64O2/c1-10-11-12-13-14-18-34(39)40-33-23-24-36(7)30-22-26-37(8)29(28(4)17-15-16-27(2)3)21-25-38(37,9)31(30)19-20-32(36)35(33,5)6/h16,28-29,32-33H,10-15,17-26H2,1-9H3/t28-,29-,32+,33+,36-,37-,38+/m1/s1
InChIKey
JMQFHDCHYOCPQA-VRRDTQDMSA-N
Chemical Structure
2D Structure
2D structure of Lanosteryl caprylate
CAS: 124770-75-8
CID: 14356615
Formula: C38H64O2
MW: 552.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.9
XLogP312.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass552.49063128
Monoisotopic Mass552.49063128
Topological Polar Surface Area26.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity966
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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