Inonotusol F

CAT: 0931-T82067-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T82067-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1534433-74-3

Bioactivity

Inonotusol F, a triterpene extracted from Inonotus obliquus, exhibits hepatoprotective properties by mitigating D-galactosamine-induced damage in WB-F344 cells [1].

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 163055050

CAS Number	1534433-74-3
PubChem CID	163055050
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 Formula	C31H48O3
Molecular Weight	468.7
XLogP	7.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	34
Formal Charge	0
Complexity	952

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

CAS: 1534433-74-3

CID: 163055050

Formula: C31H48O3

MW: 468.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	468.7
XLogP3	7.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	468.36034539
Monoisotopic Mass	468.36034539
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	952
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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GTR19218304	Inonotusol F

Inonotusol F

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