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 Number	132746-04-4
PubChem CID	195724
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 Formula	C30H48O
Molecular Weight	424.7
XLogP	8.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	31
Formal Charge	0
Complexity	818

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

CAS: 132746-04-4

CID: 195724

Formula: C30H48O

MW: 424.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	424.7
XLogP3	8.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	424.370516150
Monoisotopic Mass	424.370516150
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	818
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

Alternative Products

Catalog	Name
MBS5788081	Hancolupenone

Hancolupenone

Chemical Information

Alternative Products

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