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7-Dehydro desmosterol

CAT: 0931-TN11594-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11594-01Size:10 mg
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CAS Number
1715-86-2
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
7-Dehydro desmosterol is an intermediate in the biosynthesis of cholesterol. Additionally, it acts as an endogenous metabolite in the diatom species Pseudo-nitzschia multistriata.
Smiles
C[C@@]12[C@](C=3[C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])(CC[C@@]2([C@@H](CCC=C(C)C)C)[H])[H]
Molecular Formula
C27H42O
Molecular Weight
382.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Dehydrodesmosterol

7-dehydrodesmosterol is a 3beta-sterol having the structure of desmosterol with an extra double bond at C-7C-8. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a desmosterol.

CAS Number1715-86-2
PubChem CID440558
IUPAC Name(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H42O
Molecular Weight382.6
XLogP7.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity693
SMILES
C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey
RUSSPKPUXDSHNC-DDPQNLDTSA-N
Chemical Structure
2D Structure
2D structure of 7-Dehydrodesmosterol
CAS: 1715-86-2
CID: 440558
Formula: C27H42O
MW: 382.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.6
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass382.323565959
Monoisotopic Mass382.323565959
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity693
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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271318-017-Dehydro desmosterol
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