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Hecogenin Acetate, 90%

CAT: 0572-TRC-H129950-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H129950-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
915-35-5
Synonyms
(3beta,5alpha,25R)-3-(Acetyloxy)spirostan-12-one; 3beta-Hydroxy-5alpha,25D-spirostan-12-one Acetate; Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran] Spirostan-12-one deriv.; 3beta-Acetoxy-5alpha-spirostan-12-one; NSC 15489;
Hazard Statement
No Data Available
Smiles
C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@]6(C)[C@H]5CC(=O)[C@]4(C)[C@H]3[C@@H]2C)OC(=O)C
Molecular Formula
C29H44O5
Molecular Weight
472.66
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Hecogenin Acetate

HECOGENIN ACETATE is a triterpenoid.

CAS Number915-35-5
PubChem CID101906
IUPAC Name[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-10-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate
Molecular FormulaC29H44O5
Molecular Weight472.7
XLogP5.4
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity871
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)OC1
InChI
InChI=1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/s1
InChIKey
CVKZWRTYHCDWTE-RSEFXUKDSA-N
Chemical Structure
2D Structure
2D structure of Hecogenin Acetate
CAS: 915-35-5
CID: 101906
Formula: C29H44O5
MW: 472.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.7
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass472.31887450
Monoisotopic Mass472.31887450
Topological Polar Surface Area61.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity871
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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