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Hancolupenone

CAT: 0804-HY-116432Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116432Size:1 Each
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Description
Hancolupenone is a natural product[1].
CAS Number
132746-04-4
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hancolupenone.html
Smiles
C[C@]12[C@@]([C@]3([H])[C@](CC1)(CC[C@H]3C(C)C)C)(CC=C4[C@@]2([H])CC[C@]5([H])[C@@]4(CCC(C5(C)C)=O)C)C
Molecular Formula
C30H48O
Molecular Weight
424.70
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hancolupenone

Hancolupenone has been reported in Vincetoxicum mongolicum with data available.

CAS Number132746-04-4
PubChem CID195724
IUPAC Name(1S,3aS,5aS,5bS,7aR,11aS,13aR,13bS)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-2,3,4,5,5b,6,7,7a,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one
Molecular FormulaC30H48O
Molecular Weight424.7
XLogP8.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count31
Formal Charge0
Complexity818
SMILES
CC(C)[C@@H]1CC[C@@]2([C@H]1[C@]3(CC=C4[C@H]([C@@]3(CC2)C)CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C
InChI
InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(20)27/h12,19-20,22-23,25H,9-11,13-18H2,1-8H3/t20-,22+,23-,25-,27-,28+,29-,30+/m0/s1
InChIKey
VTRXZBXHHPHXRX-YFDCDDMRSA-N
Chemical Structure
2D Structure
2D structure of Hancolupenone
CAS: 132746-04-4
CID: 195724
Formula: C30H48O
MW: 424.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.7
XLogP38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass424.370516150
Monoisotopic Mass424.370516150
Topological Polar Surface Area17.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity818
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5788081Hancolupenone

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