Ganoderiol B

CAT: 0931-T25445Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T25445Size:25 mg

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

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CAS Number

106518-62-1

Bioactivity

Ganoderiol B is a moderately active HIV-1 PR inhibitor (IC50: 0.17-0.23 mM) .

Smiles

C[C@]12C=3C([C@]4(C)[C@@](CC3)(C(C)(C)C(=O)CC4)[H])=CC[C@]1(C)[C@@]([C@@H](CCC=C(CO)CO)C)(C[C@@H]2O)[H]

Molecular Formula

C30H46O4

Molecular Weight

470.68

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ganoderiol B

Ganoderiol B is a triterpenoid.

CAS Number	106518-62-1
PubChem CID	471007
IUPAC Name	(5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular Formula	C30H46O4
Molecular Weight	470.7
XLogP	4.5
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	920

SMILES

C[C@H](CCC=C(CO)CO)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O

InChI

InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)23-16-26(34)30(6)22-10-11-24-27(2,3)25(33)13-14-28(24,4)21(22)12-15-29(23,30)5/h9-10,12,19,23-24,26,31-32,34H,7-8,11,13-18H2,1-6H3/t19-,23-,24+,26+,28-,29-,30-/m1/s1

InChIKey

SZCAPUAJXOKPIR-AHHFHQBHSA-N

Chemical Structure

2D Structure

CAS: 106518-62-1

CID: 471007

Formula: C30H46O4

MW: 470.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	470.7
XLogP3	4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	470.33960994
Monoisotopic Mass	470.33960994
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	920
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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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Ganoderiol B

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