Cholesteryl heptanoate

CAT: 0931-TCL-00149-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-TCL-00149-01Size:100 mg

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CAS Number

1182-07-6

Bioactivity

Cholesteryl heptanoate is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.

Smiles

CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1

Molecular Formula

C34H58O2

Molecular Weight

498.82

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cholesteryl heptanoate

CAS Number	1182-07-6
PubChem CID	102014
IUPAC Name	[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] heptanoate
Molecular Formula	C34H58O2
Molecular Weight	498.8
XLogP	11.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	36
Formal Charge	0
Complexity	767

SMILES

CCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

InChI

InChI=1S/C34H58O2/c1-7-8-9-10-14-32(35)36-27-19-21-33(5)26(23-27)15-16-28-30-18-17-29(25(4)13-11-12-24(2)3)34(30,6)22-20-31(28)33/h15,24-25,27-31H,7-14,16-23H2,1-6H3/t25-,27+,28+,29-,30+,31+,33+,34-/m1/s1

InChIKey

KXWDMNPRHKRGKB-DYQRUOQXSA-N

Chemical Structure

2D Structure

CAS: 1182-07-6

CID: 102014

Formula: C34H58O2

MW: 498.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.8
XLogP3	11.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	498.44368109
Monoisotopic Mass	498.44368109
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	767
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-W127348-01	Cholesteryl heptanoate
OR1043729	Cholesteryl Heptanoate (Enanthate)
CS-AZ-00089	Bromoxynil-heptanoate
FC61969	Cholesterol Heptanoate
MBS394665-01	Sodium Heptanoate
OR1061242-01	Hexyl heptanoate
BUP13773-01	Propyl heptanoate
OR1012236-01	Allyl Heptanoate
HY-42935A-01	Heptanoate (sodium)
HY-141610-01	Methyl heptanoate

Cholesteryl heptanoate

Chemical Information

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