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Inonotusol F

CAT: 0013-GTR19218304Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218304Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Inonotusol F is a triterpenoid compound isolated from Inonotus obliquus. It demonstrates hepatoprotective effects in vitro, as shown by its ability to reduce D-galactosamine-induced cytotoxicity in WB-F344 rat hepatic epithelial cells. This makes it a candidate for research in liver injury and hepatotoxicity models.
CAS Number
1534433-74-3
Smiles
C[C@]12C3=C ([C@]4 (C) [C@@] (CC3) (C (C) (C) [C@@H] (O) CC4) [H]) CC[C@]1 (C) [C@] (CC2) ([C@@]5 (C[C@H] (C (=C (C) C) C) OC5=O) [H]) [H]
Molecular Formula
C31H48O3
Molecular Weight
468.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 163055050
CAS Number1534433-74-3
PubChem CID163055050
IUPAC Name(3S,5R)-3-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(3-methylbut-2-en-2-yl)oxolan-2-one
Molecular FormulaC31H48O3
Molecular Weight468.7
XLogP7.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity952
SMILES
CC(=C(C)[C@H]1C[C@H](C(=O)O1)[C@H]2CC[C@@]3([C@@]2(CCC4=C3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C
InChI
InChI=1S/C31H48O3/c1-18(2)19(3)24-17-20(27(33)34-24)21-11-15-31(8)23-9-10-25-28(4,5)26(32)13-14-29(25,6)22(23)12-16-30(21,31)7/h20-21,24-26,32H,9-17H2,1-8H3/t20-,21+,24+,25-,26-,29+,30+,31-/m0/s1
InChIKey
QNIOIQFWRJSVOW-REZOKSADSA-N
Chemical Structure
2D Structure
2D structure of CID 163055050
CAS: 1534433-74-3
CID: 163055050
Formula: C31H48O3
MW: 468.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.7
XLogP37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass468.36034539
Monoisotopic Mass468.36034539
Topological Polar Surface Area46.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity952
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

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